Sample records for absorption coefficient spectra

  1. Determination of the optical absorption spectra of thin layers from their photoacoustic spectra

    NASA Astrophysics Data System (ADS)

    Bychto, Leszek; Maliński, Mirosław; Patryn, Aleksy; Tivanov, Mikhail; Gremenok, Valery

    2018-05-01

    This paper presents a new method for computations of the optical absorption coefficient spectra from the normalized photoacoustic amplitude spectra of thin semiconductor samples deposited on the optically transparent and thermally thick substrates. This method was tested on CuIn(Te0.7Se0.3)2 thin films. From the normalized photoacoustic amplitude spectra, the optical absorption coefficient spectra were computed with the new formula as also with the numerical iterative method. From these spectra, the value of the energy gap of the thin film material and the type of the optical transitions were determined. From the experimental optical transmission spectra, the optical absorption coefficient spectra were computed too, and compared with the optical absorption coefficient spectra obtained from photoacoustic spectra.

  2. Implications of New Methane Absorption Coefficients on Uranus Vertical Structure Derived from Near-IR Spectra

    NASA Astrophysics Data System (ADS)

    Fry, Patrick M.; Sromovsky, L. A.

    2009-09-01

    Using new methane absorption coefficients from Karkoschka and Tomasko (2009, submitted to Icarus, "Methane Absorption Coefficients for the Jovian Planets from Laboratory, Huygens, and HST Data"), we fit Uranus near-IR spectra previously analyzed in Sromovsky et al. (2006, Icarus 182, 577-593, Fink and Larson, 1979 J- and H-band), Sromovsky and Fry (2008, Icarus 193, 252-266, 2006 NIRC2 J- and H-band, 2006 SpeX) using Irwin et al. (2006, Icarus 181, 309-319) methane absorption coefficients. Because the new absorption coefficients usually result in higher opacities at the low temperatures seen in Uranus' upper troposphere, our previously derived cloud altitudes are expected to generally rise to higher altitudes. For example, using Lindal et al. (1987, JGR 92, 14987-15001) model D temperature and methane abundance profiles, we are better able to fit the J-band 43-deg. south bright band with the new coefficients (chi-square=205, vs. 315 for Irwin), with the pressure of the upper tropospheric cloud decreasing to 1.6 bars (from 2.4 bars using Irwin coefficients). Improvements in fitting H-band spectra from the same latitude are not as readily obtained. Derived upper tropospheric cloud pressures are very similar using the two absorption datasets (1.6-1.7 bars), but the character of the fits differs. New Karkoschka and Tomasko coefficients better fit some details in the 1.5-1.58 micron region, but Irwin fits the broad absorption band wing at 1.61-1.62 microns better, and the fit chi-square values are similar (K&T: 243, Irwin: 220). Results for a higher methane concentration (Lindal et al. model F) were similar. Whether the new coefficients will simply raise derived altitudes across the planet or will result in fundamental changes in structure is as yet unclear. This work was suported by NASA planetary astronomy and planetary atmospheres programs.

  3. Determination of absorption coefficient of nanofluids with unknown refractive index from reflection and transmission spectra

    NASA Astrophysics Data System (ADS)

    Kim, Joong Bae; Lee, Seungyoon; Lee, Kyungeun; Lee, Ikjin; Lee, Bong Jae

    2018-07-01

    It has been shown that the absorption coefficient of a nanofluid can be actively tuned by changing material, size, shape, and concentration of the nanoparticle suspension. In applications of engineered nanofluids for the direct absorption of solar radiation, it is important to experimentally characterize the absorption coefficient of nanofluids in the solar spectrum. If the refractive index of the base fluid (i.e., the solution without nanoparticles) is known a priori, the absorption coefficient of nanofluids can be easily determined from the transmission spectrum. However, if the refractive index of the base fluid is not known, it is not straightforward to extract the absorption coefficient solely from the transmission spectrum. The present work aims to develop an analytical method of determining the absorption coefficient of nanofluids with unknown refractive index by measuring both reflection and transmission spectra. The proposed method will be validated with deionized water, and the effect of measurement uncertainty will be carefully examined. Finally, the general applicability of the proposed method will also be demonstrated for Therminol VP-1 as well as the Therminol VP-1 - graphite nanofluid.

  4. Quantitative photoacoustic microscopy of optical absorption coefficients from acoustic spectra in the optical diffusive regime

    NASA Astrophysics Data System (ADS)

    Guo, Zijian; Favazza, Christopher; Garcia-Uribe, Alejandro; Wang, Lihong V.

    2012-06-01

    Photoacoustic (PA) microscopy (PAM) can image optical absorption contrast with ultrasonic spatial resolution in the optical diffusive regime. Conventionally, accurate quantification in PAM requires knowledge of the optical fluence attenuation, acoustic pressure attenuation, and detection bandwidth. We circumvent this requirement by quantifying the optical absorption coefficients from the acoustic spectra of PA signals acquired at multiple optical wavelengths. With the acoustic spectral method, the absorption coefficients of an oxygenated bovine blood phantom at 560, 565, 570, and 575 nm were quantified with errors of <3%. We also quantified the total hemoglobin concentration and hemoglobin oxygen saturation in a live mouse. Compared with the conventional amplitude method, the acoustic spectral method provides greater quantification accuracy in the optical diffusive regime. The limitations of the acoustic spectral method was also discussed.

  5. Quantitative photoacoustic microscopy of optical absorption coefficients from acoustic spectra in the optical diffusive regime

    PubMed Central

    Guo, Zijian; Favazza, Christopher; Garcia-Uribe, Alejandro

    2012-01-01

    Abstract. Photoacoustic (PA) microscopy (PAM) can image optical absorption contrast with ultrasonic spatial resolution in the optical diffusive regime. Conventionally, accurate quantification in PAM requires knowledge of the optical fluence attenuation, acoustic pressure attenuation, and detection bandwidth. We circumvent this requirement by quantifying the optical absorption coefficients from the acoustic spectra of PA signals acquired at multiple optical wavelengths. With the acoustic spectral method, the absorption coefficients of an oxygenated bovine blood phantom at 560, 565, 570, and 575 nm were quantified with errors of <3%. We also quantified the total hemoglobin concentration and hemoglobin oxygen saturation in a live mouse. Compared with the conventional amplitude method, the acoustic spectral method provides greater quantification accuracy in the optical diffusive regime. The limitations of the acoustic spectral method was also discussed. PMID:22734767

  6. Quantitative photoacoustic microscopy of optical absorption coefficients from acoustic spectra in the optical diffusive regime.

    PubMed

    Guo, Zijian; Favazza, Christopher; Garcia-Uribe, Alejandro; Wang, Lihong V

    2012-06-01

    Photoacoustic (PA) microscopy (PAM) can image optical absorption contrast with ultrasonic spatial resolution in the optical diffusive regime. Conventionally, accurate quantification in PAM requires knowledge of the optical fluence attenuation, acoustic pressure attenuation, and detection bandwidth. We circumvent this requirement by quantifying the optical absorption coefficients from the acoustic spectra of PA signals acquired at multiple optical wavelengths. With the acoustic spectral method, the absorption coefficients of an oxygenated bovine blood phantom at 560, 565, 570, and 575 nm were quantified with errors of <3%. We also quantified the total hemoglobin concentration and hemoglobin oxygen saturation in a live mouse. Compared with the conventional amplitude method, the acoustic spectral method provides greater quantification accuracy in the optical diffusive regime. The limitations of the acoustic spectral method was also discussed.

  7. Measurement of Absorption Coefficient of Paraformaldehyde and Metaldehyde with Terahertz Spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhang, J.; Xia, T.; Chen, Q.; Sun, Q.; Deng, Y.; Wang, C.

    2018-03-01

    The characteristic absorption spectra of paraformaldehyde and metaldehyde in the terahertz frequency region are obtained by terahertz time-domain spectroscopy (THz-TDS). In order to reduce the absorption of terahertz (THz) wave by water vapor in the air and the background noise, the measurement system was filled with dry air and the measurements were conducted at the temperature of 24°C. Meanwhile, the humidity was controlled within 10% RH. The THz frequency domain spectra of samples and their references from 0 to 2.5 THz were analyzed via Fourier transform. The refractive index and absorption coefficients of the two aldehydes were calculated by the model formulas. From 0.1 to 2.5 THz, there appear two weak absorption peaks at 1.20 and 1.66 THz in the absorption spectra of paraformaldehyde. Only one distinct absorption peak emerges at 1.83 THz for metaldehyde. There are significant differences between the terahertz absorption coefficients of paraformaldehyde and metaldehyde, which can be used as "fingerprints" to identify these substances. Furthermore, the relationship between the average absorption coefficients and mass concentrations was investigated and the average absorption coefficient-mass concentration diagrams of paraformaldehyde and metaldehyde were shown. For paraformaldehyde, there is a linear relationship between the average absorption coefficient and the natural logarithm of mass concentration. For metaldehyde, there exists a simpler linear relationship between the average absorption coefficient and the mass concentration. Because of the characteristics of THz absorption of paraformaldehyde and metaldehyde, the THz-TDS can be applied to the qualitative and quantitative detection of the two aldehydes to reduce the unpredictable hazards due to these substances.

  8. Quantification of optical absorption coefficient from acoustic spectra in the optical diffusive regime using photoacoustic microscopy

    NASA Astrophysics Data System (ADS)

    Guo, Zijian; Favazza, Christopher; Wang, Lihong V.

    2012-02-01

    Photoacoustic (PA) tomography (PAT) can image optical absorption contrast with ultrasonic spatial resolution in the optical diffusive regime. Multi-wavelength PAT can noninvasively monitor hemoglobin oxygen saturation (sO2) with high sensitivity and fine spatial resolution. However, accurate quantification in PAT requires knowledge of the optical fluence distribution, acoustic wave attenuation, and detection system bandwidth. We propose a method to circumvent this requirement using acoustic spectra of PA signals acquired at two optical wavelengths. With the acoustic spectral method, the absorption coefficients of an oxygenated bovine blood phantom at 560 and 575 nm were quantified with errors of ><5%.

  9. Absorption coefficients of solid NH3 from 50 to 7000 per cm

    NASA Technical Reports Server (NTRS)

    Sill, G.; Fink, U.; Ferraro, J. R.

    1980-01-01

    Thin-film spectra of solid NH3 at a resolution of 1 per cm were used to determine its absorption coefficient over the range 50-7000 per cm. The thin films were formed inside a liquid N2 cooled dewar using a variety of substrates and dewar windows. The spectra were recorded with two Fourier spectrometers, one covering the range from 1 to 4 microns and the other from 2.6 to 200 microns. The thickness of the films was measured with a laser interference technique. The absorption coefficients were determined by application of Lambert's law and by a fitting procedure to the observed spectra using thin-film theory. Good agreement was found with the absorption coefficients recently determined by other investigators over a more restricted wavelength range. A metastable phase was observed near a temperature of 90 K and its absorption coefficient is reported. No other major spectral changes with temperature were noted for the range 88-120 K.

  10. Determination of the major groups of phytoplankton pigments from the absorption spectra of total particulate matter

    NASA Technical Reports Server (NTRS)

    Hoepffner, Nicolas; Sathyendranath, Shubha

    1993-01-01

    The contributions of detrital particles and phytoplankton to total light absorption are retrieved by nonlinear regression on the absorption spectra of total particles from various oceanic regions. The model used explains more than 96% of the variance in the observed particle absorption spectra. The resulting absorption spectra of phytoplankton are then decomposed into several Gaussian bands reflecting absorption by phytoplankton pigments. Such a decomposition, combined with high-performance liquid chromatography data on phytoplankton pigment concentrations, allows the computation of specific absorption coefficients for chlorophylls a, b, and c and carotenoids. The spectral values of these in vivo absorption coefficients are then discussed, considering the effects of secondary pigments which were not measured quantitatively. We show that these coefficients can be used to reconstruct the absorption spectra of phytoplankton at various locations and depths. Discrepancies that do occur at some stations are explained in terms of particle size effect. These coefficients can be used to determine the concentrations of phytoplankton pigments in the water, given the absorption spectrum of total particles.

  11. A Novel Acoustic Sensor Approach to Classify Seeds Based on Sound Absorption Spectra

    PubMed Central

    Gasso-Tortajada, Vicent; Ward, Alastair J.; Mansur, Hasib; Brøchner, Torben; Sørensen, Claus G.; Green, Ole

    2010-01-01

    A non-destructive and novel in situ acoustic sensor approach based on the sound absorption spectra was developed for identifying and classifying different seed types. The absorption coefficient spectra were determined by using the impedance tube measurement method. Subsequently, a multivariate statistical analysis, i.e., principal component analysis (PCA), was performed as a way to generate a classification of the seeds based on the soft independent modelling of class analogy (SIMCA) method. The results show that the sound absorption coefficient spectra of different seed types present characteristic patterns which are highly dependent on seed size and shape. In general, seed particle size and sphericity were inversely related with the absorption coefficient. PCA presented reliable grouping capabilities within the diverse seed types, since the 95% of the total spectral variance was described by the first two principal components. Furthermore, the SIMCA classification model based on the absorption spectra achieved optimal results as 100% of the evaluation samples were correctly classified. This study contains the initial structuring of an innovative method that will present new possibilities in agriculture and industry for classifying and determining physical properties of seeds and other materials. PMID:22163455

  12. [Extracting THz absorption coefficient spectrum based on accurate determination of sample thickness].

    PubMed

    Li, Zhi; Zhang, Zhao-hui; Zhao, Xiao-yan; Su, Hai-xia; Yan, Fang

    2012-04-01

    Extracting absorption spectrum in THz band is one of the important aspects in THz applications. Sample's absorption coefficient has a complex nonlinear relationship with its thickness. However, as it is not convenient to measure the thickness directly, absorption spectrum is usually determined incorrectly. Based on the method proposed by Duvillaret which was used to precisely determine the thickness of LiNbO3, the approach to measuring the absorption coefficient spectra of glutamine and histidine in frequency range from 0.3 to 2.6 THz(1 THz = 10(12) Hz) was improved in this paper. In order to validate the correctness of this absorption spectrum, we designed a series of experiments to compare the linearity of absorption coefficient belonging to one kind amino acid in different concentrations. The results indicate that as agreed by Lambert-Beer's Law, absorption coefficient spectrum of amino acid from the improved algorithm performs better linearity with its concentration than that from the common algorithm, which can be the basis of quantitative analysis in further researches.

  13. In situ phytoplankton absorption, fluorescence emission, and particulate backscattering spectra determined from reflectance

    NASA Technical Reports Server (NTRS)

    Roesler, Collin S.; Pery, Mary Jane

    1995-01-01

    An inverse model was developed to extract the absortion and scattering (elastic and inelastic) properties of oceanic constituents from surface spectral reflectance measurements. In particular, phytoplankton spectral absorption coefficients, solar-stimulated chlorophyll a fluorescence spectra, and particle backscattering spectra were modeled. The model was tested on 35 reflectance spectra obtained from irradiance measurements in optically diverse ocean waters (0.07 to 25.35 mg/cu m range in surface chlorophyll a concentrations). The universality of the model was demonstrated by the accurate estimation of the spectral phytoplankton absorption coefficents over a range of 3 orders of magnitude (rho = 0.94 at 500 nm). Under most oceanic conditions (chlorophyll a less than 3 mg/cu m) the percent difference between measured and modeled phytoplankton absorption coefficents was less than 35%. Spectral variations in measured phytoplankton absorption spectra were well predicted by the inverse model. Modeled volume fluorescence was weakly correlated with measured chl a; fluorescence quantum yield varied from 0.008 to 0.09 as a function of environment and incident irradiance. Modeled particle backscattering coefficients were linearly related to total particle cross section over a twentyfold range in backscattering coefficents (rho = 0.996, n = 12).

  14. Absorption spectra and light penetration depth of normal and pathologically altered human skin

    NASA Astrophysics Data System (ADS)

    Barun, V. V.; Ivanov, A. P.; Volotovskaya, A. V.; Ulashchik, V. S.

    2007-05-01

    A three-layered skin model (stratum corneum, epidermis, and dermis) and engineering formulas for radiative transfer theory are used to study absorption spectra and light penetration depths of normal and pathologically altered skin. The formulas include small-angle and asymptotic approximations and a layer-addition method. These characteristics are calculated for wavelengths used for low-intensity laser therapy. We examined several pathologies such as vitiligo, edema, erythematosus lupus, and subcutaneous wound, for which the bulk concentrations of melanin and blood vessels or tissue structure (for subcutaneous wound) change compared with normal skin. The penetration depth spectrum is very similar to the inverted blood absorption spectrum. In other words, the depth is minimal at blood absorption maxima. The calculated absorption spectra enable the power and irradiation wavelength providing the required light effect to be selected. Relationships between the penetration depth and the diffuse reflectance coefficient of skin (unambiguously expressed through the absorption coefficient) are analyzed at different wavelengths. This makes it possible to find relationships between the light fields inside and outside the tissue.

  15. Recording of absorption spectra by a three-beam integral technique with a tunable laser and external cavity

    NASA Astrophysics Data System (ADS)

    Korolenko, P. V.; Nikolaev, I. V.; Ochkin, V. N.; Tskhai, S. N.

    2014-04-01

    An integral method is considered for recording absorption using three laser beams transmitted through and reflected from an external cavity with the absorbing medium (R-ICOS). The method is the elaboration of a known single-beam ICOS method and allows suppression of the influence of radiation phase fluctuations in the resonator on recording weak absorption spectra. First of all, this reduces high-frequency instabilities and gives a possibility to record spectra during short time intervals. In this method, mirrors of the resonator may have moderate reflection coefficients. Capabilities of the method have been demonstrated by the examples of weak absorption spectra of atmospheric methane and natural gas in a spectral range around 1650 nm. With the mirrors having the reflection coefficients of 0.8-0.99, a spectrum can be recorded for 320 μs with the accuracy sufficient for detecting a background concentration of methane in atmosphere. For the acquisition time of 20 s, the absorption coefficients of ~2×10-8 cm-1 can be measured, which corresponds to a 40 times less molecule concentration than the background value.

  16. Spectroscopic method for determination of the absorption coefficient in brain tissue

    NASA Astrophysics Data System (ADS)

    Johansson, Johannes D.

    2010-09-01

    I use Monte Carlo simulations and phantom measurements to characterize a probe with adjacent optical fibres for diffuse reflectance spectroscopy during stereotactic surgery in the brain. Simulations and measurements have been fitted to a modified Beer-Lambert model for light transport in order to be able to quantify chromophore content based on clinically measured spectra in brain tissue. It was found that it is important to take the impact of the light absorption into account when calculating the apparent optical path length, lp, for the photons in order to get good estimates of the absorption coefficient, μa. The optical path length was found to be well fitted to the equation lp=a+b ln(Is)+c ln(μa)+d ln(Is)ln(μa), where Is is the reflected light intensity for scattering alone (i.e., zero absorption). Although coefficients a-d calculated in this study are specific to the probe used here, the general form of the equation should be applicable to similar probes.

  17. Numerical indicators of absorption spectra of green leaf extract obtained from plants of different life forms.

    PubMed

    Koldaev, Vladimir M; Manyakhin, Artem Yu

    2018-06-05

    The study was carried out using 58 species of terrestrial plants of different life forms at the start of their fruiting stage. Photoreceptive systems of the leaves were assessed by means of unconventional numerical indicators of absorption spectra, relative photoabsorption coefficient, photosynthetic pigments' integral absorption intensity and relative absorption intensity coefficient. As the study showed, the leaves of all trees and light-demanding grasses favoring open spaces, which were subjected to the study were featured by the lowest values of numerical indicators of absorption spectra (NIAS). Shade-demanding grasses, which grow beneath the canopy, by contrast, were featured by the highest NIAS values. These values of the shrub leaves were in between those of light-demanding plants and shade-demanding ones. The results obtained are consistent with modern visions concerning the biochemistry and the physiology of plants' photoreceptive system. It is appropriate to apply the NIAS, which were used in this study and reflect a leaf's photoreceptive properties, as spectrophotometric criteria for monitoring and environmental management of natural plant resources and agricultural plants. Copyright © 2018 Elsevier B.V. All rights reserved.

  18. Light absorption coefficients by phytoplankton pigments, suspended particles and colored dissolved organic matter in the Crimea coastal water (the Black sea) in June 2016

    NASA Astrophysics Data System (ADS)

    Moiseeva, N.; Churilova, T.; Efimova, T.; Krivenko, O.; Latushkin, A.

    2017-11-01

    Variability of the bio-optical properties of the Crimean coastal waters in June 2016 has been analyzed. The type of vertical distribution chlorophyll a concentration and phytoplankton light absorption coefficients and spectra shape differed between shallow and deeper water. In the deeper water seasonal stratification divided euphotic zone into layers with different environmental conditions. In the deeper part of the euphotic zone (below the thermocline) phytoplankton absorption spectra had local maximum at 550 nm, which was likely to be associated with high abundance of cyanobacteria (Synechococcus sps.) in the phytoplankton community. The concentration of chlorophyll a specific light absorption coefficient of phytoplankton decreased with depth (especially pronounced in the blue domain of the spectrum). In the shallow water the vertical distributions of all absorption properties were relatively homogeneous due to vertical water mixing. In the shallow water non-algal particles light absorption coefficient and its contribution to total particulate absorption were higher than those in the deeper water. The non-algal particles (NAP) and colored dissolved organic matter (CDOM) light absorption spectra were well described by an exponential function with a slope averaging 0.010 nm-1 (SD = 0.001 nm-1) and 0.022 nm-1 (SD = 0.0060 nm-1), correspondingly. The CDOM absorption at 440 nm and slope coefficient varied significantly across the investigated area, which was possibly associated with the terrestrial influences. The assessment of the contribution of phytoplankton, NAP and CDOM to total light absorption showed that CDOM dominated in the absorption at 440 nm.

  19. Studies on absorption coefficient near edge of multi elements

    NASA Astrophysics Data System (ADS)

    Eisa, M. H.; Shen, H.; Yao, H. Y.; Mi, Y.; Zhou, Z. Y.; Hu, T. D.; Xie, Y. N.

    2005-12-01

    X-ray absorption near edge structure (XANES) was used to study the near edge mass-absorption coefficients of seven elements, such as, Ti, V, Fe, Co, Ni, Cu and Zn. It is well known that, on the near edge absorption of element, when incident X-ray a few eV change can make the absorption coefficient an order magnitude alteration. So that, there are only a few points mass-absorption coefficient at the near edge absorption and that always average value in published table. Our results showed a wide range of data, the total measured data of mass-absorption coefficient of the seven elements was about 505. The investigation confirmed that XANES is useful technique for multi-element absorption coefficient measurement. Details of experimental methods and results are given and discussed. The experimental work has been performed at Beijing Synchrotron Radiation Facility. The measured values were compared with the published data. Good agreement between experimental results and published data is obtained.

  20. Stopping-power and mass energy-absorption coefficient ratios for Solid Water.

    PubMed

    Ho, A K; Paliwal, B R

    1986-01-01

    The AAPM Task Group 21 protocol provides tables of ratios of average restricted stopping powers and ratios of mean energy-absorption coefficients for different materials. These values were based on the work of Cunningham and Schulz. We have calculated these quantities for Solid Water (manufactured by RMI), using the same x-ray spectra and method as that used by Cunningham and Schulz. These values should be useful to people who are using Solid Water for high-energy photon calibration.

  1. Absorption coefficients of silicon: A theoretical treatment

    NASA Astrophysics Data System (ADS)

    Tsai, Chin-Yi

    2018-05-01

    A theoretical model with explicit formulas for calculating the optical absorption and gain coefficients of silicon is presented. It incorporates direct and indirect interband transitions and considers the effects of occupied/unoccupied carrier states. The indirect interband transition is calculated from the second-order time-independent perturbation theory of quantum mechanics by incorporating all eight possible routes of absorption or emission of photons and phonons. Absorption coefficients of silicon are calculated from these formulas. The agreements and discrepancies among the calculated results, the Rajkanan-Singh-Shewchun (RSS) formula, and Green's data are investigated and discussed. For example, the RSS formula tends to overestimate the contributions of indirect transitions for cases with high photon energy. The results show that the state occupied/unoccupied effect is almost negligible for silicon absorption coefficients up to the onset of the optical gain condition where the energy separation of Quasi-Femi levels between electrons and holes is larger than the band-gap energy. The usefulness of using the physics-based formulas, rather than semi-empirical fitting ones, for absorption coefficients in theoretical studies of photovoltaic devices is also discussed.

  2. Aprotic solvents effect on the UV-visible absorption spectra of bixin

    NASA Astrophysics Data System (ADS)

    Rahmalia, Winda; Fabre, Jean-François; Usman, Thamrin; Mouloungui, Zéphirin

    2014-10-01

    We describe here the effects of aprotic solvents on the spectroscopic characteristics of bixin. Bixin was dissolved in dimethyl sulfoxide, acetone, dichloromethane, ethyl acetate, chloroform, dimethyl carbonate, cyclohexane and hexane, separately, and its spectra in the resulting solutions were determined by UV-visible spectrophotometry at normal pressure and room temperature. We analyzed the effect of aprotic solvents on λmax according to Onsager cavity model and Hansen theory, and determined the approximate absorption coefficient with the Beer-Lambert law. We found that the UV-visible absorption spectra of bixin were found to be solvent dependent. The S0 → S2 transition energy of bixin in solution was dependent principally on the refractive index of the solvents and the bixin-solvent dispersion interaction. There was a small influence of the solvents dielectric constant, permanent dipole interaction and hydrogen bonding occurred between bixin and solvents. The absorbance of bixin in various solvents, with the exception of hexane, increased linearly with concentration.

  3. Optical absorption and scattering spectra of pathological stomach tissues

    NASA Astrophysics Data System (ADS)

    Giraev, K. M.; Ashurbekov, N. A.; Lakhina, M. A.

    2011-03-01

    Diffuse reflection spectra of biotissues in vivo and transmission and reflection coefficients for biotissues in vitro are measured over 300-800 nm. These data are used to determine the spectral absorption and scattering indices and the scattering anisotropy factor for stomach mucous membranes under normal and various pathological conditions (chronic atrophic and ulcerous defects, malignant neoplasms). The most importan tphysiological (hemodynamic and oxygenation levels) and structural-morphological (scatterer size and density) parameters are also determined. The results of a morphofunctional study correlate well with the optical properties and are consistent with data from a histomorphological analysis of the corresponding tissues.

  4. Determination of total x-ray absorption coefficient using non-resonant x-ray emission

    PubMed Central

    Achkar, A. J.; Regier, T. Z.; Monkman, E. J.; Shen, K. M.; Hawthorn, D. G.

    2011-01-01

    An alternative measure of x-ray absorption spectroscopy (XAS) called inverse partial fluorescence yield (IPFY) has recently been developed that is both bulk sensitive and free of saturation effects. Here we show that the angle dependence of IPFY can provide a measure directly proportional to the total x-ray absorption coefficient, µ(E). In contrast, fluorescence yield (FY) and electron yield (EY) spectra are offset and/or distorted from µ(E) by an unknown and difficult to measure amount. Moreover, our measurement can determine µ(E) in absolute units with no free parameters by scaling to µ(E) at the non-resonant emission energy. We demonstrate this technique with measurements on NiO and NdGaO3. Determining µ(E) across edge-steps enables the use of XAS as a non-destructive measure of material composition. In NdGaO3, we also demonstrate the utility of IPFY for insulating samples, where neither EY or FY provide reliable spectra due to sample charging and self-absorption effects, respectively. PMID:22355697

  5. Rich magneto-absorption spectra of AAB-stacked trilayer graphene.

    PubMed

    Do, Thi-Nga; Shih, Po-Hsin; Chang, Cheng-Peng; Lin, Chiun-Yan; Lin, Ming-Fa

    2016-06-29

    A generalized tight-binding model is developed to investigate the feature-rich magneto-optical properties of AAB-stacked trilayer graphene. Three intragroup and six intergroup inter-Landau-level (inter-LL) optical excitations largely enrich magneto-absorption peaks. In general, the former are much higher than the latter, depending on the phases and amplitudes of LL wavefunctions. The absorption spectra exhibit single- or twin-peak structures which are determined by quantum modes, LL energy spectra and Fermion distribution. The splitting LLs, with different localization centers (2/6 and 4/6 positions in a unit cell), can generate very distinct absorption spectra. There exist extra single peaks because of LL anti-crossings. AAB, AAA, ABA, and ABC stackings considerably differ from one another in terms of the inter-LL category, frequency, intensity, and structure of absorption peaks. The main characteristics of LL wavefunctions and energy spectra and the Fermi-Dirac function are responsible for the configuration-enriched magneto-optical spectra.

  6. Aerosol Angstrom Absorption Coefficient Comparisons during MILAGRO.

    NASA Astrophysics Data System (ADS)

    Marley, N. A.; Marchany-Rivera, A.; Kelley, K. L.; Mangu, A.; Gaffney, J. S.

    2007-12-01

    Measurements of aerosol absorption were obtained as part of the MAX-Mex component of the MILAGRO field campaign at site T0 (Instituto Mexicano de Petroleo in Mexico City) by using a 7-channel aethalometer (Thermo- Anderson) during the month of March, 2006. The absorption measurements obtained in the field at 370, 470, 520, 590, 660, 880, and 950 nm were used to determine the aerosol Angstrom absorption exponents by linear regression. Since, unlike other absorbing aerosol species (e.g. humic like substances, nitrated PAHs), black carbon absorption is relatively constant from the ultraviolet to the infrared with an Angstrom absorption exponent of -1 (1), a comparison of the Angstrom exponents can indicate the presence of aerosol components with an enhanced UV absorption over that expected from BC content alone. The Angstrom exponents determined from the aerosol absorption measurements obtained in the field varied from - 0.7 to - 1.3 during the study and was generally lower in the afternoon than the morning hours, indicating an increase in secondary aerosol formation and photochemically generated UV absorbing species in the afternoon. Twelve-hour integrated samples of fine atmospheric aerosols (<0.1micron) were also collected at site T0 and T1 (Universidad Technologica de Tecamac, State of Mexico) from 5 am to 5 pm (day) and from 5 pm to 5 am (night) during the month of March 2006. Samples were collected on quartz fiber filters with high volume impactor samplers. Continuous absorption spectra of these aerosol samples have been obtained in the laboratory from 280 to 900nm with the use of an integrating sphere coupled to a UV spectrometer (Beckman DU with a Labsphere accessory). The integrating sphere allows the detector to collect and spatially integrate the total radiant flux reflected from the sample and therefore allows for the measurement of absorption on highly reflective or diffusely scattering samples. These continuous spectra have also been used to obtain the

  7. Determination of optical absorption coefficient with focusing photoacoustic imaging.

    PubMed

    Li, Zhifang; Li, Hui; Zeng, Zhiping; Xie, Wenming; Chen, Wei R

    2012-06-01

    Absorption coefficient of biological tissue is an important factor for photothermal therapy and photoacoustic imaging. However, its determination remains a challenge. In this paper, we propose a method using focusing photoacoustic imaging technique to quantify the target optical absorption coefficient. It utilizes the ratio of the amplitude of the peak signal from the top boundary of the target to that from the bottom boundary based on wavelet transform. This method is self-calibrating. Factors, such as absolute optical fluence, ultrasound parameters, and Grüneisen parameter, can be canceled by dividing the amplitudes of the two peaks. To demonstrate this method, we quantified the optical absorption coefficient of a target with various concentrations of an absorbing dye. This method is particularly useful to provide accurate absorption coefficient for predicting the outcomes of photothermal interaction for cancer treatment with absorption enhancement.

  8. Aprotic solvents effect on the UV-visible absorption spectra of bixin.

    PubMed

    Rahmalia, Winda; Fabre, Jean-François; Usman, Thamrin; Mouloungui, Zéphirin

    2014-10-15

    We describe here the effects of aprotic solvents on the spectroscopic characteristics of bixin. Bixin was dissolved in dimethyl sulfoxide, acetone, dichloromethane, ethyl acetate, chloroform, dimethyl carbonate, cyclohexane and hexane, separately, and its spectra in the resulting solutions were determined by UV-visible spectrophotometry at normal pressure and room temperature. We analyzed the effect of aprotic solvents on λmax according to Onsager cavity model and Hansen theory, and determined the approximate absorption coefficient with the Beer-Lambert law. We found that the UV-visible absorption spectra of bixin were found to be solvent dependent. The S0→S2 transition energy of bixin in solution was dependent principally on the refractive index of the solvents and the bixin-solvent dispersion interaction. There was a small influence of the solvents dielectric constant, permanent dipole interaction and hydrogen bonding occurred between bixin and solvents. The absorbance of bixin in various solvents, with the exception of hexane, increased linearly with concentration. Copyright © 2014 Elsevier B.V. All rights reserved.

  9. Absorption Coefficient of Alkaline Earth Halides.

    DTIC Science & Technology

    1980-04-01

    not observed at low energy level , are developed at high power levels . No matter how low the absorption is. the effect is objectionable at high-energy... levels . As a natural consequence, the magnitude of the absorption coefficient is the key parameter in selecting laser window materials. Over the past...Presence of impurities can complicate the exponential tail. particularly at low absorption levels . The impurities may enter 12 the lattice singly or

  10. Pressure-induced absorption coefficients for radiative transfer calculations in Titan's atmosphere

    NASA Technical Reports Server (NTRS)

    Courtin, Regis

    1988-01-01

    The semiempirical theory of Birnbaum and Cohen (1976) is used to calculate the FIR pressure-induced absorption (PIA) spectra of N2, CH4, N2 + Ar, N2 + CH4, and N2 + H2 under conditions like those in the Titan troposphere. The results are presented graphically and compared with published data from laboratory measurements of PIA in the same gases and mixtures (Dagg et al., 1986; Dore et al., 1986). Good agreement is obtained, with only a slight underestimation of PIA at 300-400/cm in the case of CH4. The absorption coefficients are presented in tables, and it is suggested that the present findings are of value for evaluating the effects of tropospheric clouds on the Titan FIR spectrum and studying the greenhouse effect near the Titan surface.

  11. Creating semiconductor metafilms with designer absorption spectra

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kim, Soo Jin; Fan, Pengyu; Kang, Ju-Hyung

    The optical properties of semiconductors are typically considered intrinsic and fixed. Here we leverage the rapid developments in the field of optical metamaterials to create ultrathin semiconductor metafilms with designer absorption spectra. We show how such metafilms can be constructed by placing one or more types of high-index semiconductor antennas into a dense array with subwavelength spacings. It is argued that the large absorption cross-section of semiconductor antennas and their weak near-field coupling open a unique opportunity to create strongly absorbing metafilms whose spectral absorption properties directly reflect those of the individual antennas. Using experiments and simulations, we demonstrate thatmore » near-unity absorption at one or more target wavelengths of interest can be achieved in a sub-50-nm-thick metafilm using judiciously sized and spaced Ge nanobeams. The ability to create semiconductor metafilms with custom absorption spectra opens up new design strategies for planar optoelectronic devices and solar cells.« less

  12. Techniques For Measuring Absorption Coefficients In Crystalline Materials

    NASA Astrophysics Data System (ADS)

    Klein, Philipp H.

    1981-10-01

    Absorption coefficients smaller than 0.001 cm-1 can, with more or less difficulty, be measured by several techniques. With diligence, all methods can be refined to permit measurement of absorption coefficients as small as 0.00001 cm-1. Spectral data are most readily obtained by transmission (spectrophotometric) methods, using multiple internal reflection to increase effective sample length. Emissivity measurements, requiring extreme care in the elimination of detector noise and stray light, nevertheless afford the most accessible spectral data in the 0.0001 to 0.00001 cm-1 range. Single-wavelength informa-tion is most readily obtained with modifications of laser calorimetry. Thermo-couple detection of energy absorbed from a laser beam is convenient, but involves dc amplification techniques and is susceptible to stray-light problems. Photoacoustic detection, using ac methods, tends to diminish errors of these types, but at some expense in experimental complexity. Laser calorimetry has been used for measurements of absorption coefficients as small as 0.000003 cm-1. Both transmission and calorimetric data, taken as functions of intensity, have been used for measurement of nonlinear absorption coefficients.

  13. An Inverse Modeling Approach to Estimating Phytoplankton Pigment Concentrations from Phytoplankton Absorption Spectra

    NASA Technical Reports Server (NTRS)

    Moisan, John R.; Moisan, Tiffany A. H.; Linkswiler, Matthew A.

    2011-01-01

    Phytoplankton absorption spectra and High-Performance Liquid Chromatography (HPLC) pigment observations from the Eastern U.S. and global observations from NASA's SeaBASS archive are used in a linear inverse calculation to extract pigment-specific absorption spectra. Using these pigment-specific absorption spectra to reconstruct the phytoplankton absorption spectra results in high correlations at all visible wavelengths (r(sup 2) from 0.83 to 0.98), and linear regressions (slopes ranging from 0.8 to 1.1). Higher correlations (r(sup 2) from 0.75 to 1.00) are obtained in the visible portion of the spectra when the total phytoplankton absorption spectra are unpackaged by multiplying the entire spectra by a factor that sets the total absorption at 675 nm to that expected from absorption spectra reconstruction using measured pigment concentrations and laboratory-derived pigment-specific absorption spectra. The derived pigment-specific absorption spectra were further used with the total phytoplankton absorption spectra in a second linear inverse calculation to estimate the various phytoplankton HPLC pigments. A comparison between the estimated and measured pigment concentrations for the 18 pigment fields showed good correlations (r(sup 2) greater than 0.5) for 7 pigments and very good correlations (r(sup 2) greater than 0.7) for chlorophyll a and fucoxanthin. Higher correlations result when the analysis is carried out at more local geographic scales. The ability to estimate phytoplankton pigments using pigment-specific absorption spectra is critical for using hyperspectral inverse models to retrieve phytoplankton pigment concentrations and other Inherent Optical Properties (IOPs) from passive remote sensing observations.

  14. Realistic absorption coefficient of ultrathin films

    NASA Astrophysics Data System (ADS)

    Cesaria, M.; Caricato, A. P.; Martino, M.

    2012-10-01

    Both a theoretical algorithm and an experimental procedure are discussed of a new route to determine the absorption/scattering properties of thin films deposited on transparent substrates. Notably, the non-measurable contribution of the film-substrate interface is inherently accounted for. While the experimental procedure exploits only measurable spectra combined according to a very simple algorithm, the theoretical derivation does not require numerical handling of the acquired spectra or any assumption on the film homogeneity and substrate thickness. The film absorption response is estimated by subtracting the measured absorption spectrum of the bare substrate from that of the film on the substrate structure but in a non-straightforward way. In fact, an assumption about the absorption profile of the overall structure is introduced and a corrective factor accounting for the relative film-to-substrate thickness. The method is tested on films of a well known material (ITO) as a function of the film structural quality and influence of the film-substrate interface, both deliberately changed by thickness tuning and doping. Results are found fully consistent with information obtained by standard optical analysis and band gap values reported in the literature. Additionally, comparison with a conventional method demonstrates that our route is generally more accurate even if particularly suited for very thin films.

  15. Soft x-ray absorption spectra of ilmenite family.

    PubMed

    Agui, A; Mizumaki, M; Saitoh, Y; Matsushita, T; Nakatani, T; Fukaya, A; Torikai, E

    2001-03-01

    We have carried out soft x-ray absorption spectroscopy to study the electronic structure of ilmenite family, such as MnTiO3, FeTiO3, and CoTiO3 at the soft x-ray beamline, BL23SU, at the SPring-8. The Ti and M L2,3 absorption spectra of MTiO3 (M=Mn, Fe, and Co) show spectra of Ti4+ and M2+ electron configurations, respectively. Except the Fe L2,3 spectrum, those spectra were understood within the O(h) symmetry around the transition metal ions. The Fe L3-edge spectrum clearly shows a doublet peak at the L3 edge, which is attributed to Fe2+ state, moreover the very high-resolution the L-edge spectra of transition metals show fine structures. The spectra of those ilmenites are compared.

  16. Measuring high spectral resolution specific absorption coefficients for use with hyperspectral imagery

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Keller, M.; Bostater, C.

    1997-06-01

    A portable, long path length (50 cm), flow through, absorption tube system is utilized to obtain in-situ specific absorption coefficients from various water environments consisting of both clear and turbid water conditions from an underway ship or vessel. The high spectral resolution absorption signatures can be obtained and correlated with measured water quality parameters along a ship track. The long path cuvette system is capable of measuring important water quality parameters such as chlorophyll-a, seston or total suspended matter, tannins, humics, fulvic acids, or dissolved organic matter (dissolved organic carbon, DOC). The various concentrations of these substances can be determinedmore » and correlated with laboratory measurements using the double inflection ratio (DIR) of the spectra based upon derivative spectroscopy. The DIR is determined for all of the possible combinations of the bands ranging from 362-1115 nm using 252 channels, as described previously by Bostater. The information gathered from this system can be utilized in conjunction with hyperspectral imagery that allows one to relate reflectance and absorption to water quality of a particular environment. A comparison is made between absorption signatures and reflectance obtained from the Banana River, Florida.« less

  17. Absorption-Edge-Modulated Transmission Spectra for Water Contaminant Monitoring

    DTIC Science & Technology

    2016-03-31

    Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--16-9675 Absorption-Edge-Modulated Transmission Spectra for Water Contaminant ...ABSTRACT c. THIS PAGE 18. NUMBER OF PAGES 17. LIMITATION OF ABSTRACT Absorption-Edge-Modulated Transmission Spectra for Water Contaminant Monitoring...Unlimited Unclassified Unlimited 35 Samuel G. Lambrakos (202) 767-2601 Monitoring of contaminants associated with specific water resources using

  18. 40 CFR 796.1050 - Absorption in aqueous solution: Ultraviolet/visible spectra.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... by both molar absorption coefficient (molar extinction coefficient) and band width. However, the..., expressed in cm; and the molar absorption (extinction) coefficient,εi, of each species. The absorbance...

  19. 40 CFR 796.1050 - Absorption in aqueous solution: Ultraviolet/visible spectra.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... by both molar absorption coefficient (molar extinction coefficient) and band width. However, the..., expressed in cm; and the molar absorption (extinction) coefficient,εi, of each species. The absorbance...

  20. 40 CFR 796.1050 - Absorption in aqueous solution: Ultraviolet/visible spectra.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... by both molar absorption coefficient (molar extinction coefficient) and band width. However, the..., expressed in cm; and the molar absorption (extinction) coefficient,εi, of each species. The absorbance...

  1. Measurements of spectral parameters of water-vapour transitions near 1388 and 1345 nm for accurate simulation of high-pressure absorption spectra

    NASA Astrophysics Data System (ADS)

    Liu, Xiang; Jeffries, Jay B.; Hanson, Ronald K.

    2007-05-01

    Quantitative near-infrared absorption spectroscopy of water-vapour overtone and combination bands at high pressures is complicated by pressure broadening and shifting of individual lines and the blending of neighbouring transitions. An experimental and computational methodology is developed to determine accurate high-pressure absorption spectra. This case study investigates two water-vapour transitions, one near 1388 nm (7203.9 cm-1) and the other near 1345 nm (7435.6 cm-1), for potential two-line absorption measurements of temperature in the range of 400-1050 K with a pressure varying from 5-25 atm. The required quantitative spectroscopy data (line strength, collisional broadening, and pressure-induced frequency shift) of the target transitions and their neighbours (a total of four H2O vapour transitions near 1388 nm and six transitions near 1345 nm) are measured in neat H2O vapour, H2O-air and H2O-CO2 mixtures as a function of temperature (296-1000 K) at low pressures (<800 Torr). Precise values of the line strength S(T), pressure-broadening coefficients γair(T) and \\gamma _{CO_2 } (T), and pressure-shift coefficients δair(T) and \\delta _{CO_2 } (T) for the ten transitions were inferred from the measured spectra and compared with data from HITRAN 2004. A hybrid spectroscopic database was constructed by modifying HITRAN 2004 to incorporate these values for simulation of water-vapour-absorption spectra at high pressures. Simulations using this hybrid database are in good agreement with high pressure experiments and demonstrate that data collected at modest pressures can be used to simulate high-pressure absorption spectra.

  2. Gigahertz-peaked Spectra Pulsars and Thermal Absorption Model

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kijak, J.; Basu, R.; Lewandowski, W.

    2017-05-10

    We present the results of our radio interferometric observations of pulsars at 325 and 610 MHz using the Giant Metrewave Radio Telescope. We used the imaging method to estimate the flux densities of several pulsars at these radio frequencies. The analysis of the shapes of the pulsar spectra allowed us to identify five new gigahertz-peaked spectra (GPS) pulsars. Using the hypothesis that the spectral turnovers are caused by thermal free–free absorption in the interstellar medium, we modeled the spectra of all known objects of this kind. Using the model, we were able to put some observational constraints on the physicalmore » parameters of the absorbing matter, which allows us to distinguish between the possible sources of absorption. We also discuss the possible effects of the existence of GPS pulsars on future search surveys, showing that the optimal frequency range for finding such objects would be from a few GHz (for regular GPS sources) to possibly 10 GHz for pulsars and radio magnetars exhibiting very strong absorption.« less

  3. Theoretical Prediction of Si 2–Si 33 Absorption Spectra

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhao, Li -Zhen; Lu, Wen -Cai; Qin, Wei

    Here, the optical absorption spectra of Si 2–Si 33 clusters were systematically studied by a time-dependent density functional theory approach. The calculations revealed that the absorption spectrum becomes significantly broad with increasing cluster size, stretching from ultraviolet to the infrared region. The absorption spectra are closely related to the structural motifs. With increasing cluster size, the absorption intensity of cage structures gradually increases, but the absorption curves of the prolate and the Y-shaped structures are very sensitive to cluster size. If the transition energy reaches ~12 eV, it is noted that all the clusters have remarkable absorption in deep ultravioletmore » region of 100–200 nm, and the maximum absorption intensity is ~100 times that in the visible region. Further, the optical responses to doping in the Si clusters were studied.« less

  4. Theoretical Prediction of Si 2–Si 33 Absorption Spectra

    DOE PAGES

    Zhao, Li -Zhen; Lu, Wen -Cai; Qin, Wei; ...

    2017-07-07

    Here, the optical absorption spectra of Si 2–Si 33 clusters were systematically studied by a time-dependent density functional theory approach. The calculations revealed that the absorption spectrum becomes significantly broad with increasing cluster size, stretching from ultraviolet to the infrared region. The absorption spectra are closely related to the structural motifs. With increasing cluster size, the absorption intensity of cage structures gradually increases, but the absorption curves of the prolate and the Y-shaped structures are very sensitive to cluster size. If the transition energy reaches ~12 eV, it is noted that all the clusters have remarkable absorption in deep ultravioletmore » region of 100–200 nm, and the maximum absorption intensity is ~100 times that in the visible region. Further, the optical responses to doping in the Si clusters were studied.« less

  5. Multiple-scattering coefficients and absorption controlled diffusive processes

    NASA Astrophysics Data System (ADS)

    Godoy, Salvador; García-Colín, L. S.; Micenmacher, Victor

    1999-11-01

    Multiple-scattering transmission and reflection coefficients (T,R) are introduced in addition to the diffusion coefficient D for the description of ballistic diffusion in the presence of absorption. For 1D (one-dimensional) systems, the measurement of only one between T and D imposes restrictions on the possible values of the other. If D is measured, then T is bounded between the Landauer and Lambert-Beer equations. Measurements of both (T,D) imply the theoretical knowledge of the microscopic absorption Σa and scattering rΣs cross sections.

  6. Measurement of HCl absorption coefficients with a DF laser

    NASA Technical Reports Server (NTRS)

    Bair, C. H.; Allario, F.

    1977-01-01

    Absorption coefficients in the fundamental P-branch of HCl at several DF laser transitions from 2439.02/cm to 2862.87/cm have been measured experimentally. The 2-1 P(3) DF laser transition has been shown to overlap the P(6) HCl-37 absorption line within the halfwidth of an atmospherically broadened line. The absorption coefficient k was measured to be 5.64 plus or minus 0.28/(atm-cm) for a 0.27% mixture of HCl in N2 at a total pressure of 760 torr. A theoretical and experimental comparison of the pressure dependence of k showed that the 2-1 P(3) DF transition lies 1.32 plus or minus 0.15 GHz from the center of the P(6) HCl absorption line. Applications of these results to differential absorption lidar and to heterodyne detection are discussed.

  7. IR Absorption Coefficients for the Quantification of Water in Hydrous Ringwoodite

    NASA Astrophysics Data System (ADS)

    Thomas, Sylvia-Monique; Jacobsen, Steven D.; Bina, Craig R.; Smyth, Joseph R.; Frost, Daniel J.

    2010-05-01

    Raman spectroscopy, combined with the 'Comparator technique' has been developed to determine water contents ranging from a few wt ppm to wt% in glasses and nominally anhydrous minerals including garnets, olivine, and SiO2 polymorphs (Thomas et al. 2009). The routine is one promising example of quantification tools to determine mineral specific molar absorption coefficients (ɛ) for IR spectroscopy. Mineral specific absorption coefficients are required because general IR calibrations do not necessarily apply to minerals with water incorporated as hydroxyl point defects. Here we utilize the 'Comparator technique' to provide ɛ-values for a set of synthetic Fe-free (Fo100) and Fe-bearing (Fo90, Fo87, Fo83, Fo60) ringwoodites, as well as for γ-Mg2GeO4. Ringwoodite is considered one of the major phases of the Earth's lower transition zone (520-660 km depth) and the knowledge of its absolute water storage capacity is essential for modeling the Earth's deep water cycle. Samples were synthesized at variable P-T conditions in a multi-anvil press and cover a range of OH contents. Single-crystals were characterized using X-ray diffraction and IR spectroscopy. Mineral specific IR absorption coefficients were calculated from independently determined water contents from Raman spectroscopy. Unpolarized IR spectra of Mg-ringwoodite show broad absorption features in the OH region with band maxima at ~2350, 2538, 3130, 3172, 3598 and 3688 cm-1. In the spectra of Fe-bearing ringwoodite and γ-Mg2GeO4 the maxima of the main OH band are shifted to 3244 cm-1 (Fo60) and 3207 cm-1, respectively. For Mg-ringwoodite with the mean wavenumber (area-weighted average of the peak position) of 3170 cm-1 an ɛ-value of 191500 ± 38300 L cm-2/ molH2O was determined. For the ringwoodites with Fo90, Fo87 and Fo83 composition and the mean wavenumbers of 3229 cm-1, 3252 cm-1 and 3163 cm-1 values of 123600 ± 24700 L cm-2/ molH2O, 176300 ± 52900 L cm-2/ molH2O and 155000 ± 46500 L cm-2/ molH2O were

  8. Measurement of the absorption coefficient using the sound-intensity technique

    NASA Technical Reports Server (NTRS)

    Atwal, M.; Bernhard, R.

    1984-01-01

    The possibility of using the sound intensity technique to measure the absorption coefficient of a material is investigated. This technique measures the absorption coefficient by measuring the intensity incident on the sample and the net intensity reflected by the sample. Results obtained by this technique are compared with the standard techniques of measuring the change in the reverberation time and the standing wave ratio in a tube, thereby, calculating the random incident and the normal incident adsorption coefficient.

  9. Modelling the light absorption coefficients of oceanic waters: Implications for underwater optical applications

    NASA Astrophysics Data System (ADS)

    Prabhakaran, Sai Shri; Sahu, Sanjay Kumar; Dev, Pravin Jeba; Shanmugam, Palanisamy

    2018-05-01

    Spectral absorption coefficients of particulate (algal and non-algal components) and dissolved substances are modelled and combined with the pure seawater component to determine the total light absorption coefficients of seawater in the Bay of Bengal. Two parameters namely chlorophyll-a (Chl) concentration and turbidity were measured using commercially available instruments with high sampling rates. For modelling the light absorption coefficients of oceanic waters, the measured data are classified into two broad groups - algal dominant and non-algal particle (NAP) dominant. With these criteria the individual absorption coefficients of phytoplankton and NAP were established based on their concentrations using an iterative method. To account for the spectral dependence of absorption by phytoplankton, the wavelength-dependent coefficients were introduced into the model. The CDOM absorption was determined by subtracting the individual absorption coefficients of phytoplankton and NAP from the measured total absorption data and then related to the Chl concentration. Validity of the model is assessed based on independent in-situ data from certain discrete locations in the Bay of Bengal. The total absorption coefficients estimated using the new model by considering the contributions of algal, non-algal and CDOM have good agreement with the measured total absorption data with the error range of 6.9 to 28.3%. Results obtained by the present model are important for predicting the propagation of the radiant energy within the ocean and interpreting remote sensing observation data.

  10. First-principles C band absorption spectra of SO2 and its isotopologues

    NASA Astrophysics Data System (ADS)

    Jiang, Bin; Kumar, Praveen; Kłos, Jacek; Alexander, Millard H.; Poirier, Bill; Guo, Hua

    2017-04-01

    The low-energy wing of the C ˜ B12 ←X˜ 1A1 absorption spectra for SO2 in the ultraviolet region is computed for the 32S,33S,34S and 36S isotopes, using the recently developed ab initio potential energy surfaces (PESs) of the two electronic states and the corresponding transition dipole surface. The state-resolved absorption spectra from various ro-vibrational states of SO2(X˜ 1A1 ) are computed. When contributions of these excited ro-vibrational states are included, the thermally averaged spectra are broadened but maintain their key characters. Excellent agreement with experimental absorption spectra is found, validating the accuracy of the PESs. The isotope shifts of the absorption peaks are found to increase linearly with energy, in good agreement with experiment.

  11. Measurements of Soot Mass Absorption Coefficients from 300 to 660 nm

    NASA Astrophysics Data System (ADS)

    Renbaum-Wolff, Lindsay; Fisher, Al; Helgestad, Taylor; Lambe, Andrew; Sedlacek, Arthur; Smith, Geoffrey; Cappa, Christopher; Davidovits, Paul; Onasch, Timothy; Freedman, Andrew

    2016-04-01

    Soot, a product of incomplete combustion, plays an important role in the earth's climate system through the absorption and scattering of solar radiation. In particular, the assumed mass absorption coefficient (MAC) of soot and its variation with wavelength presents a significant uncertainty in the calculation of radiative forcing in global climate change models. As part of the fourth Boston College/Aerodyne soot properties measurement campaign, we have measured the mass absorption coefficient of soot produced by an inverted methane diffusion flame over a spectral range of 300-660 nm using a variety of optical absorption techniques. Extinction and absorption were measured using a dual cavity ringdown photoacoustic spectrometer (CRD-PAS, UC Davis) at 405 nm and 532 nm. Scattering and extinction were measured using a CAPS PMssa single scattering albedo monitor (Aerodyne) at 630 nm; the absorption coefficient was determined by subtraction. In addition, the absorption coefficients in 8 wavelength bands from 300 to 660 nm were measured using a new broadband photoacoustic absorption monitor (UGA). Soot particle mass was quantified using a centrifugal particle mass analyzer (CPMA, Cambustion), mobility size with a scanning mobility particle sizer (SMPS, TSI) and soot concentration with a CPC (Brechtel). The contribution of doubly charged particles to the sample mass was determined using a Single Particle Soot Photometer (DMT). Over a mass range of 1-8 fg, corresponding to differential mobility diameters of ~150 nm to 550 nm, the value of the soot MAC proved to be independent of mass for all wavelengths. The wavelength dependence of the MAC was best fit to a power law with an Absorption Ångstrom Coefficient slightly greater than 1.

  12. Using of laser spectroscopy and chemometrics methods for identification of patients with lung cancer, patients with COPD and healthy people from absorption spectra of exhaled air

    NASA Astrophysics Data System (ADS)

    Bukreeva, Ekaterina B.; Bulanova, Anna A.; Kistenev, Yury V.; Kuzmin, Dmitry A.; Nikiforova, Olga Yu.; Ponomarev, Yurii N.; Tuzikov, Sergei A.; Yumov, Evgeny L.

    2014-11-01

    The results of application of the joint use of laser photoacoustic spectroscopy and chemometrics methods in gas analysis of exhaled air of patients with chronic respiratory diseases (chronic obstructive pulmonary disease and lung cancer) are presented. The absorption spectra of exhaled breath of representatives of the target groups and healthy volunteers were measured; the selection by chemometrics methods of the most informative absorption coefficients in scan spectra in terms of the separation investigated nosology was implemented.

  13. Optical Absorption Spectra of Hydrogenated Microcrystalline Silicon Films by Resonant Photothermal Bending Spectroscopy

    NASA Astrophysics Data System (ADS)

    Kunii, Toshie; Yoshida, Norimitsu; Hori, Yasuro; Nonomura, Shuichi

    2006-05-01

    A resonant photothermal bending spectroscopy (PBS) is demonstrated for the measurement of absorption coefficient spectra in hydrogenated microcrystalline silicon (μc-Si:H) and hydrogenated microcrystalline cubic silicon carbide (μc-3C-SiC:H) films. The resonant vibration technique utilized in PBS establishes the sensitivity as α d˜ 5× 10-5 in a vacuum measurement. Appling resonant PBS to μc-Si:H films, a new extra absorption coefficient αex spectrum is observed from 0.6 to 1.2 eV. The αex spectrum has a peak at ˜1.0 eV, and the localized states inducing the αex are located ˜0.35 eV below the conduction band edge of μc-Si:H. A possible explanation for the observed localized state is that an oxidation produces weak bonds at the grain boundaries and/or amorphous silicon tissues. In μc-3C-SiC:H film, an optical band-gap energy of ˜2.2 eV was demonstrated assuming an indirect optical transition. The temperature coefficient of the optical band-gap energy was ˜2.3× 10-4 eV K-1. The αex spectrum of μc-3C-SiC:H film is plateau-shaped and its magnitude is in accord with an increase in grain size.

  14. Estimation of water absorption coefficient using the TDR method

    NASA Astrophysics Data System (ADS)

    Suchorab, Zbigniew; Majerek, Dariusz; Brzyski, Przemysław; Sobczuk, Henryk; Raczkowski, Andrzej

    2017-07-01

    Moisture accumulation and transport in the building barriers is an important feature that influences building performance, causing serious exploitation problems as increased energy use, mold and bacteria growth, decrease of indoor air parameters that may lead to sick building syndrome (SBS). One of the parameters that is used to describe moisture characteristic of the material is water absorption coefficient being the measure of capillary behavior of the material as a function of time and the surface area of the specimen. As usual it is determined using gravimetric methods according to EN 1925:1999 standard. In this article we demonstrate the possibility of determination of water absorption coefficient of autoclaved aerated concrete (AAC) using the Time Domain Reflectometry (TDR) method. TDR is an electric technique that had been adopted from soil science and can be successfully used for real-time monitoring of moisture transport in building materials and envelopes. Data achieved using TDR readouts show high correlation with standard method of moisture absorptivity coefficient determination.

  15. Two-photon absorption spectra of carotenoids compounds

    NASA Astrophysics Data System (ADS)

    Vivas, Marcelo Gonçalves; Silva, Daniel Luiz; Boni, Leonardo de; Zalesny, Robert; Bartkowiak, Wojciech; Mendonca, Cleber Renato

    2011-05-01

    Carotenoids are biosynthetic organic pigments that constitute an important class of one-dimensional π-conjugated organic molecules with enormous potential for application in biophotonic devices. In this context, we studied the degenerate two-photon absorption (2PA) cross-section spectra of two carotenoid compounds (β-carotene and β-apo-8'-carotenal) employing the conventional and white-light-continuum Z-scan techniques and quantum chemistry calculations. Because carotenoids coexist at room temperature as a mixture of isomers, the 2PA spectra reported here are due to samples containing a distribution of isomers, presenting distinct conjugation length and conformation. We show that these compounds present a defined structure on the 2PA spectra, that peaks at 650 nm with an absorption cross-section of approximately 5000 GM, for both compounds. In addition, we observed a 2PA band at 990 nm for β-apo-8'-carotenal, which was attributed to a overlapping of 11Bu+-like and 21Ag--like states, which are strongly one- and two-photon allowed, respectively. Spectroscopic parameters of the electronic transitions to singlet-excited states, which are directly related to photophysical properties of these compounds, were obtained by fitting the 2PA spectra using the sum-over-states approach. The analysis and interpretations of the 2PA spectra of the investigated carotenoids were supported by theoretical predictions of one- and two-photon transitions carried out using the response functions formalism within the density functional theory framework, using the long-range corrected CAM-B3LYP functional.

  16. Substituent and solvent effects on electronic absorption spectra of some N-(substitutedphenyl)benzene sulphonamides

    NASA Astrophysics Data System (ADS)

    Suganya, Krishnasamy; Kabilan, Senthamaraikannan

    2004-04-01

    The effects of substituents and solvents have been studied through the absorption spectra of nearly 23 ortho- and para-N-(substitutedphenyl)benzene sulphonamides in the range of 200-400 nm. The effects of substituents on the absorption spectra of compounds under present investigation are interpreted by correlation of absorption frequencies with simple and extended Hammett equations. Effect of solvent polarity and hydrogen bonding on the absorption spectra are interpreted by means of Kamlet equation and the results are discussed.

  17. Noninvasive photoacoustic measurement of absorption coefficient using internal light irradiation of cylindrical diffusing fiber

    NASA Astrophysics Data System (ADS)

    Peng, Dong-qing; Zhu, Li-li; Li, Zhi-fang; Li, Hui

    2017-09-01

    Absorption coefficient of biological tissue is an important parameter in biomedicine, but its determination remains a challenge. In this paper, we propose a method using focusing photoacoustic imaging technique and internal light irradiation of cylindrical diffusing fiber (CDF) to quantify the target optical absorption coefficient. Absorption coefficients for ink absorbers are firstly determined through photoacoustic and spectrophotometric measurements at the same excitation, which demonstrates the feasibility of this method. Also, the optical absorption coefficients of ink absorbers with several concentrations are measured. Finally, the two-dimensional scanning photoacoustic image is obtained. Optical absorption coefficient measurement and simultaneous photoacoustic imaging of absorber non-invasively are the typical characteristics of the method. This method can play a significant role for non-invasive determination of blood oxygen saturation, the absorption-based imaging and therapy.

  18. Absorption Spectra of Gold Nanoparticle Suspensions

    NASA Astrophysics Data System (ADS)

    Anan'eva, M. V.; Nurmukhametov, D. R.; Zverev, A. S.; Nelyubina, N. V.; Zvekov, A. A.; Russakov, D. M.; Kalenskii, A. V.; Eremenko, A. N.

    2018-02-01

    Three gold nanoparticle suspensions are obtained, and mean radii in distributions - (6.1 ± 0.2), (11.9 ± 0.3), and (17.3 ± 0.7) nm - are determined by the transmission electron microscopy method. The optical absorption spectra of suspensions are obtained and studied. Calculation of spectral dependences of the absorption index of suspensions at values of the gold complex refractive index taken from the literature showed a significant deviation of experimental and calculated data in the region of 450-800 nm. Spectral dependences of the absorption of suspensions are simulated within the framework of the Mie-Drude theory taking into account the interband absorption in the form of an additional term in the imaginary part of the dielectric permittivity of the Gaussian type. It is shown that to quantify the spectral dependences in the region of the plasmon absorption band of nanoparticles, correction of the parameters of the interband absorption is necessary in addition to the increase of the relaxation parameter of the Drude theory. Spectral dependences of the dielectric permittivity of gold in nanodimensional state are refined from the solution of the inverse problem. The results of the present work are important for predicting the special features of operation of photonic devices and optical detonators based on gold nanoparticles.

  19. Estimation of the molar absorption coefficient of copper salicylate within the spectral range 300-350 nm

    NASA Astrophysics Data System (ADS)

    Lavrik, N. L.; Mulloev, N. U.

    2017-12-01

    Additional absorption was detected in absorption spectra within the range 300-350 nm after addition of copper sulfate CuSO4(aq) to a solution of sodium salicylate NaНSal (рН = 7.8). The additional maximum absorption was observed at 320 nm. Assuming that the additional absorption depends on the formation of copper salicylate CuSal, the molar absorption coefficient εCuSal of this complex was determined to be (3.8 ± 0.02) · 103 М- 1 сm- 1. This value is almost equal to that of monoanion HSal-, εHSal - = (3.6 ± 0.04) · 103 М- 1 сm- 1, and is 2.5 times as much as εFe3 + HSal - = (1.55 ± 0.05) · 103 М- 1 сm- 1 for iron salicylate. The difference in εCuSal and εFe3 + HSal - is due to the difference in the initial electron states of Cu2 + and Fe3 + ions that have the d9 and d5 configurations, respectively.

  20. Measurement of the aerosol absorption coefficient with the nonequilibrium process

    NASA Astrophysics Data System (ADS)

    Li, Liang; Li, Jingxuan; Bai, Hailong; Li, Baosheng; Liu, Shanlin; Zhang, Yang

    2018-02-01

    On the basis of the conventional Jamin interferometer,the improved measuring method is proposed that using a polarization type reentrant Jamin interferometer measures atmospheric aerosol absorption coefficient under the photothermal effect.The paper studies the relationship between the absorption coefficient of atmospheric aerosol particles and the refractive index change of the atmosphere.In Matlab environment, the variation curves of the output voltage of the interferometer with different concentration aerosol samples under stimulated laser irradiation were plotted.Besides, the paper also studies the relationship between aerosol concentration and the time required for the photothermal effect to reach equilibrium.When using the photothermal interferometry the results show that the time required for the photothermal effect to reach equilibrium is also increasing with the increasing concentration of aerosol particles,the absorption coefficient and time of aerosol in the process of nonequilibrium are exponentially changing.

  1. Substituent and solvent effects on electronic absorption spectra of some N-(substitutedphenyl)benzene sulphonamides.

    PubMed

    Suganya, Krishnasamy; Kabilan, Senthamaraikannan

    2004-04-01

    The effects of substituents and solvents have been studied through the absorption spectra of nearly 23 ortho- and para-N-(substitutedphenyl)benzene sulphonamides in the range of 200-400 nm. The effects of substituents on the absorption spectra of compounds under present investigation are interpreted by correlation of absorption frequencies with simple and extended Hammett equations. Effect of solvent polarity and hydrogen bonding on the absorption spectra are interpreted by means of Kamlet equation and the results are discussed. Copyright 2003 Elsevier B.V.

  2. Minority carrier diffusion lengths and absorption coefficients in silicon sheet material

    NASA Technical Reports Server (NTRS)

    Dumas, K. A.; Swimm, R. T.

    1980-01-01

    Most of the methods which have been developed for the measurement of the minority carrier diffusion length of silicon wafers require that the material have either a Schottky or an ohmic contact. The surface photovoltage (SPV) technique is an exception. The SPV technique could, therefore, become a valuable diagnostic tool in connection with current efforts to develop low-cost processes for the production of solar cells. The technique depends on a knowledge of the optical absorption coefficient. The considered investigation is concerned with a reevaluation of the absorption coefficient as a function of silicon processing. A comparison of absorption coefficient values showed these values to be relatively consistent from sample to sample, and independent of the sample growth method.

  3. Determining CDOM Absorption Spectra in Diverse Aquatic Environments Using a Multiple Pathlength, Liquid Core Waveguide System

    NASA Technical Reports Server (NTRS)

    Miller, Richard L.; Belz, Mathias; DelCastillo, Carlos; Trzaska, Rick

    2001-01-01

    We evaluated the accuracy, sensitivity and precision of a multiple pathlength, liquid core waveguide (MPLCW) system for measuring colored dissolved organic matter (CDOM) absorption in the UV-visible spectral range (370-700 nm). The MPLCW has four optical paths (2.0, 9.8, 49.3, and 204 cm) coupled to a single Teflon AF sample cell. Water samples were obtained from inland, coastal and ocean waters ranging in salinity from 0 to 36 PSU. Reference solutions for the MPLCW were made having a refractive index of the sample. CDOM absorption coefficients, aCDOM, and the slope of the log-linearized absorption spectra, S, were compared with values obtained using a dual-beam spectrophotometer. Absorption of phenol red secondary standards measured by the MPLCW at 558 nm were highly correlated with spectrophotometer values and showed a linear response across all four pathlengths. Values of aCDOM measured using the MPLCW were virtually identical to spectrophotometer values over a wide range of concentrations. The dynamic range of aCDOM for MPLCW measurements was 0.002 - 231.5 m-1. At low CDOM concentrations spectrophotometric aCDOM were slightly greater than MPLCW values and showed larger fluctuations at longer wavelengths due to limitations in instrument precision. In contrast, MPLCW spectra followed an exponential to 600 nm for all samples.

  4. The Free-Free Absorption Coefficients of the Negative Helium Ion

    NASA Astrophysics Data System (ADS)

    John, T. L.

    1994-08-01

    Free-free absorption coefficients of the negative helium ion are calculated by a phaseshift approximation, using continuum data that accurately account for electron-atom correlation and polarization. The approximation is considered to yield results within a few per cent of numerical values for wavelengths greater than 1 m, over the temperature range 1400-10080 K. These coefficients are expected to give the best current estimates of He - continuous absorption. Key words: atomic data - atomic processes - stars: atmospheres - infrared: general.

  5. Backscatter factors and mass energy-absorption coefficient ratios for diagnostic radiology dosimetry

    NASA Astrophysics Data System (ADS)

    Benmakhlouf, Hamza; Bouchard, Hugo; Fransson, Annette; Andreo, Pedro

    2011-11-01

    Backscatter factors, B, and mass energy-absorption coefficient ratios, (μen/ρ)w, air, for the determination of the surface dose in diagnostic radiology were calculated using Monte Carlo simulations. The main purpose was to extend the range of available data to qualities used in modern x-ray techniques, particularly for interventional radiology. A comprehensive database for mono-energetic photons between 4 and 150 keV and different field sizes was created for a 15 cm thick water phantom. Backscattered spectra were calculated with the PENELOPE Monte Carlo system, scoring track-length fluence differential in energy with negligible statistical uncertainty; using the Monte Carlo computed spectra, B factors and (μen/ρ)w, air were then calculated numerically for each energy. Weighted averaging procedures were subsequently used to convolve incident clinical spectra with mono-energetic data. The method was benchmarked against full Monte Carlo calculations of incident clinical spectra obtaining differences within 0.3-0.6%. The technique used enables the calculation of B and (μen/ρ)w, air for any incident spectrum without further time-consuming Monte Carlo simulations. The adequacy of the extended dosimetry data to a broader range of clinical qualities than those currently available, while keeping consistency with existing data, was confirmed through detailed comparisons. Mono-energetic and spectra-averaged values were compared with published data, including those in ICRU Report 74 and IAEA TRS-457, finding average differences of 0.6%. Results are provided in comprehensive tables appropriated for clinical use. Additional qualities can easily be calculated using a designed GUI interface in conjunction with software to generate incident photon spectra.

  6. Improved spectral absorption coefficient grouping strategy of wide band k-distribution model used for calculation of infrared remote sensing signal of hot exhaust systems

    NASA Astrophysics Data System (ADS)

    Hu, Haiyang; Wang, Qiang

    2018-07-01

    A new strategy for grouping spectral absorption coefficients, considering the influences of both temperature and species mole ratio inhomogeneities on correlated-k characteristics of the spectra of gas mixtures, has been deduced to match the calculation method of spectral overlap parameter used in multiscale multigroup wide band k-distribution model. By comparison with current spectral absorption coefficient grouping strategies, for which only the influence of temperature inhomogeneity on the correlated-k characteristics of spectra of single species was considered, the improvements in calculation accuracies resulting from the new grouping strategy were evaluated using a series of 0D cases in which radiance under 3-5-μm wave band emitted by hot combustion gas of hydrocarbon fuel was attenuated by atmosphere with quite different temperature and mole ratios of water vapor and carbon monoxide to carbon dioxide. Finally, evaluations are presented on the calculation of remote sensing thermal images of transonic hot jet exhausted from a chevron ejecting nozzle with solid wall cooling system.

  7. Automated generation and ensemble-learned matching of X-ray absorption spectra

    NASA Astrophysics Data System (ADS)

    Zheng, Chen; Mathew, Kiran; Chen, Chi; Chen, Yiming; Tang, Hanmei; Dozier, Alan; Kas, Joshua J.; Vila, Fernando D.; Rehr, John J.; Piper, Louis F. J.; Persson, Kristin A.; Ong, Shyue Ping

    2018-12-01

    X-ray absorption spectroscopy (XAS) is a widely used materials characterization technique to determine oxidation states, coordination environment, and other local atomic structure information. Analysis of XAS relies on comparison of measured spectra to reliable reference spectra. However, existing databases of XAS spectra are highly limited both in terms of the number of reference spectra available as well as the breadth of chemistry coverage. In this work, we report the development of XASdb, a large database of computed reference XAS, and an Ensemble-Learned Spectra IdEntification (ELSIE) algorithm for the matching of spectra. XASdb currently hosts more than 800,000 K-edge X-ray absorption near-edge spectra (XANES) for over 40,000 materials from the open-science Materials Project database. We discuss a high-throughput automation framework for FEFF calculations, built on robust, rigorously benchmarked parameters. FEFF is a computer program uses a real-space Green's function approach to calculate X-ray absorption spectra. We will demonstrate that the ELSIE algorithm, which combines 33 weak "learners" comprising a set of preprocessing steps and a similarity metric, can achieve up to 84.2% accuracy in identifying the correct oxidation state and coordination environment of a test set of 19 K-edge XANES spectra encompassing a diverse range of chemistries and crystal structures. The XASdb with the ELSIE algorithm has been integrated into a web application in the Materials Project, providing an important new public resource for the analysis of XAS to all materials researchers. Finally, the ELSIE algorithm itself has been made available as part of veidt, an open source machine-learning library for materials science.

  8. Polarized electronic absorption spectra of Cr2SiO4 single crystals

    NASA Astrophysics Data System (ADS)

    Furche, A.; Langer, K.

    Polarized electronic absorption spectra, E∥a(∥X), E∥b(∥Y) and E∥c(∥Z), in the energy range 3000-5000 cm-1 were obtained for the orthorhombic thenardite-type phase Cr2SiO4, unique in its Cr2+-allocation suggesting some metal-metal bonding in Cr2+Cr2+ pairs with Cr-Cr distance 2.75 Å along [001]. The spectra were scanned at 273 and 120 K on single crystal platelets ∥(100), containing optical Y and Z, and ∥(010), containing optical X and Z, with thicknesses 12.3 and 15.6 μm, respectively. Microscope-spectrometric techniques with a spatial resolution of 20 μm and 1 nm spectral resolution were used. The orientations were obtained by means of X-ray precession photographs. The xenomorphic, strongly pleochroic crystal fragments (X deeply greenish-blue, Y faint blue almost colourless, Z deeply purple almost opaque) were extracted from polycrystalline Cr2SiO4, synthesized at 35 kbar, above 1440 °C from high purity Cr2O3, Cr (10% excess) and SiO2 in chromium capsules. The Cr2SiO4-phase was identified by X-ray diffraction (XRD). Four strongly polarized bands, at about 13500 (I), 15700 (II), 18700 (III) and 19700 (IV) cm-1, in the absorption spectra of Cr2SiO4 single crystals show properties (temperature behaviour of linear and integral absorption coefficients, polarization behaviour, molar absorptivities) which are compatible with an assignment to localized spin-allowed transitions of Cr2+ in a distorted square planar coordination of point symmetry C2. The crystal field parameter of Cr2+ is estimated to be 10 Dq =10700 cm-1. A relatively intense, sharp band at 18400 cm-1 and three other minor features can, from their small half widths, be assigned to spin-forbidden dd-transitions of Cr2+. The intensity of such bands strongly decreases on decreasing temperature. The large half widths, near 5000 cm-1 of band III are indicative of some Cr-Cr interactions, i.e. δ-δ* transitions of Cr24+, whereas the latter alone would be in conflict with the strong

  9. Absorption spectra of deuterated water at DF laser wavelengths.

    PubMed

    Bruce, C W; Jelinek, A V

    1982-11-15

    Absorption coefficients for deuterated water have been measured at twenty-two deuterium fluoride (DF) laser wavelengths and presented for atmospheric conditions classified as midlatitude-summer (14.3 T water vapor, standard temperature, and pressure). The HDO vapor was produced from a liquid mixture of H(2)O and D(2)O. The proportions of the resulting equilibrium mixture involving these constituents and HDO were calculated using previously measured constants and produced strong HDO absorption at the 3.5-4.1-microm DF laser wavelengths relative to those of the H(2)O and D(2)O vapors. Predicted and measured pressure dependencies at constant mixing ratios are compared for several laser wavelengths having strong HDO absorption. Absorption coefficients are in fairly close agreement with those of the current Air Force Geophysical Laboratory line-by-line model for standard temperature and pressure conditions. At lower total pressures, the comparison is less satisfactory and suggests inaccurate line parameters in the predictive data base.

  10. Studies on mass energy-absorption coefficients and effective atomic energy-absorption cross sections for carbohydrates

    NASA Astrophysics Data System (ADS)

    Ladhaf, Bibifatima M.; Pawar, Pravina P.

    2015-04-01

    We measured here the mass attenuation coefficients (μ/ρ) of carbohydrates, Esculine (C15H16O9), Sucrose (C12H22O11), Sorbitol (C6H14O6), D-Galactose (C6H12O6), Inositol (C6H12O6), D-Xylose (C5H10O5) covering the energy range from 122 keV up to 1330 keV photon energies by using gamma ray transmission method in a narrow beam good geometry set-up. The gamma-rays were detected using NaI(Tl) scintillation detection system with a resolution of 8.2% at 662 keV. The attenuation coefficient data were then used to obtain the total attenuation cross-section (σtot), molar extinction coefficients (ε), mass-energy absorption coefficients (μen/ρ) and effective (average) atomic energy-absorption cross section (σa,en) of the compounds. These values are found to be in good agreement with the theoretical values calculated based on XCOM data.

  11. Laser Ablation of Poly(methylmethacrylate) Doped with Aromatic Compounds: Laser Intensity Dependence of Absorption Coefficient

    NASA Astrophysics Data System (ADS)

    Wang, Jun; Niino, Hiroyuki; Yabe, Akira

    1999-02-01

    We developed a novel method of obtaining an absorption coefficient which depends on the laser intensity, since a single-photon absorption coefficient of a polymer could not be applied to laser ablation. The relationship between the nonlinear absorption coefficient and the laser intensity was derived from experimental data of transmission and incident laser intensities. Using the nonlinear absorption coefficient of poly(methylmethacrylate) doped with benzil and pyrene, we succeeded in fitting the relationship of etch depth and laser intensity, obtained experimentally, and discussed the energy absorbed by the polymer at the threshold fluence.

  12. Unified analysis of optical absorption spectra of carotenoids based on a stochastic model.

    PubMed

    Uragami, Chiasa; Saito, Keisuke; Yoshizawa, Masayuki; Molnár, Péter; Hashimoto, Hideki

    2018-05-03

    The chemical structures of the carotenoid molecules are very simple and one might think that the electronic feature of it is easily predicted. However, it still has so much unknown information except the correlation between the electronic energy state and the length of effective conjugation chain of carotenoids. To investigate the electronic feature of the carotenoids, the most essential method is measuring the optical absorption spectra, but simulating it from the resonance Raman spectra is also the effective way. From this reason, we studied the optical absorption spectra as well as resonance Raman spectra of 15 different kinds of cyclic carotenoid molecules, recorded in tetrahydrofuran (THF) solutions at room temperature. The whole band shapes of the absorption spectra of all these carotenoid molecules were successfully simulated based on a stochastic model using Brownian oscillators. The parameters obtained from the simulation made it possible to discuss the intermolecular interaction between carotenoids and solvent THF molecules quantitatively. Copyright © 2018. Published by Elsevier Inc.

  13. Subgap Absorption in Conjugated Polymers

    DOE R&D Accomplishments Database

    Sinclair, M.; Seager, C. H.; McBranch, D.; Heeger, A. J; Baker, G. L.

    1991-01-01

    Along with X{sup (3)}, the magnitude of the optical absorption in the transparent window below the principal absorption edge is an important parameter which will ultimately determine the utility of conjugated polymers in active integrated optical devices. With an absorptance sensitivity of < 10{sup {minus}5}, Photothermal Deflection Spectroscopy (PDS) is ideal for determining the absorption coefficients of thin films of transparent'' materials. We have used PDS to measure the optical absorption spectra of the conjugated polymers poly(1,4-phenylene-vinylene) (and derivitives) and polydiacetylene-4BCMU in the spectral region from 0.55 eV to 3 eV. Our spectra show that the shape of the absorption edge varies considerably from polymer to polymer, with polydiacetylene-4BCMU having the steepest absorption edge. The minimum absorption coefficients measured varied somewhat with sample age and quality, but were typically in the range 1 cm{sup {minus}1} to 10 cm{sup {minus}1}. In the region below 1 eV, overtones of C-H stretching modes were observed, indicating that further improvements in transparency in this spectral region might be achieved via deuteration of fluorination.

  14. Phyllosilicate absorption features in main-belt and outer-belt asteroid reflectance spectra.

    PubMed

    Vilas, F; Gaffey, M J

    1989-11-10

    Absorption features having depths up to 5% are identified in high-quality, high-resolution reflectance spectra of 16 dark asteroids in the main belt and in the Cybele and Hilda groups. Analogs among the CM2 carbonaceous chondrite meteorites exist for some of these asteroids, suggesting that these absorptions are due to iron oxides in phyllosilicates formed on the asteroidal surfaces by aqueous alteration processes. Spectra of ten additional asteroids, located beyond the outer edge of the main belt, show no discernible absorption features, suggesting that aqueous alteration did not always operate at these heliocentric distances.

  15. Phyllosilicate absorption features in main-belt and outer-belt asteroid reflectance spectra

    NASA Technical Reports Server (NTRS)

    Vilas, Faith; Gaffey, Michael J.

    1989-01-01

    Absorption features having depths up to 5 percent are identified in high-quality, high-resolution reflectance spectra of 16 dark asteroids in the main belt and in the Cybele and Hilda groups. Analogs among the CM2 carbonaceous chondrite meteorites exist for some of these asteroids, suggesting that these absorptions are due to iron oxides in phyllosilicates formed on the asteroidal surfaces by aqueous alteration processes. Spectra of ten additional asteroids, located beyond the outer edge of the main belt, show no discernible absorption features, suggesting that aqueous alteration did not always operate at these heliocentric distances.

  16. Reassignment of the Iron (3) Absorption Bands in the Spectra of Mars

    NASA Technical Reports Server (NTRS)

    Sherman, D. M.

    1985-01-01

    Absorption features in the near-infrared and visible region reflectance spectra of Mars have been assigned to specific Fe (3+) crystal-field and o(2-) yields Fe(3+) charge transfer transitions. Recently, near-ultraviolet absorption spectra of iron oxides were obtained and the energies of o(2-) yields Fe(3+) charge-transfer (LMCT) transitions were determined from accurate SCF-X # alpha-SW molecular orbital calculations on (FeO6)(9-) and (FeO4)(5-) clusters. Both the theoretical and experimental results, together with existing data in the literature, show that some of the previous Fe(3+) band assignments in the spectra of Mars need to be revised. The theory of Fe(3+) spectra in minerals is discussed and applied to the spectrum of Mars.

  17. Infrared absorption spectra of metal carbides, nitrides and sulfides

    NASA Technical Reports Server (NTRS)

    Kammori, O.; Sato, K.; Kurosawa, F.

    1981-01-01

    The infrared absorption spectra of 12 kinds of metal carbides, 11 kinds of nitrides, and 7 kinds of sulfides, a total of 30 materials, were measured and the application of the infrared spectra of these materials to analytical chemistry was discussed. The measurements were done in the frequency (wave length) range of (1400 to 400/cm (7 to 25 mu). The carbides Al4C3, B4C, the nitrides AlN, BN, Si3N4, WB, and the sulfides Al2S3, FeS2, MnS, NiS and PbS were noted to have specific absorptions in the measured region. The sensitivity of Boron nitride was especially good and could be detected at 2 to 3 micrograms in 300 mg of potassium bromide.

  18. A method for determination mass absorption coefficient of gamma rays by Compton scattering.

    PubMed

    El Abd, A

    2014-12-01

    A method was proposed for determination mass absorption coefficient of gamma rays for compounds, alloys and mixtures. It is based on simulating interaction processes of gamma rays with target elements having atomic numbers from Z=1 to Z=92 using the MCSHAPE software. Intensities of Compton scattered gamma rays at saturation thicknesses and at a scattering angle of 90° were calculated for incident gamma rays of different energies. The obtained results showed that the intensity of Compton scattered gamma rays at saturations and mass absorption coefficients can be described by mathematical formulas. These were used to determine mass absorption coefficients for compound, alloys and mixtures with the knowledge of their Compton scattered intensities. The method was tested by calculating mass absorption coefficients for some compounds, alloys and mixtures. There is a good agreement between obtained results and calculated ones using WinXom software. The advantages and limitations of the method were discussed. Copyright © 2014 Elsevier Ltd. All rights reserved.

  19. An investigation of a mathematical model for atmospheric absorption spectra

    NASA Technical Reports Server (NTRS)

    Niple, E. R.

    1979-01-01

    A computer program that calculates absorption spectra for slant paths through the atmosphere is described. The program uses an efficient convolution technique (Romberg integration) to simulate instrument resolution effects. A brief information analysis is performed on a set of calculated spectra to illustrate how such techniques may be used to explore the quality of the information in a spectrum.

  20. Sound absorption by clamped poroelastic plates.

    PubMed

    Aygun, H; Attenborough, K

    2008-09-01

    Measurements and predictions have been made of the absorption coefficient and the surface acoustic impedance of poroelastic plates clamped in a large impedance tube and separated from the rigid termination by an air gap. The measured and predicted absorption coefficient and surface impedance spectra exhibit low frequency peaks. The peak frequencies observed in the absorption coefficient are close to those predicted and measured in the deflection spectra of the clamped poroelastic plates. The influences of the rigidity of the clamping conditions and the width of the air gap have been investigated. Both influences are found to be important. Increasing the rigidity of clamping reduces the low frequency absorption peaks compared with those measured for simply supported plates or plates in an intermediate clamping condition. Results for a closed cell foam plate and for two open cell foam plates made from recycled materials are presented. For identical clamping conditions and width of air gap, the results for the different materials differ as a consequence mainly of their different elasticity, thickness, and cell structure.

  1. Dynamic absorption coefficients of chemically amplified resists and nonchemically amplified resists at extreme ultraviolet

    NASA Astrophysics Data System (ADS)

    Fallica, Roberto; Stowers, Jason K.; Grenville, Andrew; Frommhold, Andreas; Robinson, Alex P. G.; Ekinci, Yasin

    2016-07-01

    The dynamic absorption coefficients of several chemically amplified resists (CAR) and non-CAR extreme ultraviolet (EUV) photoresists are measured experimentally using a specifically developed setup in transmission mode at the x-ray interference lithography beamline of the Swiss Light Source. The absorption coefficient α and the Dill parameters ABC were measured with unprecedented accuracy. In general, the α of resists match very closely with the theoretical value calculated from elemental densities and absorption coefficients, whereas exceptions are observed. In addition, through the direct measurements of the absorption coefficients and dose-to-clear values, we introduce a new figure of merit called chemical sensitivity to account for all the postabsorption chemical reaction ongoing in the resist, which also predicts a quantitative clearing volume and clearing radius, due to the photon absorption in the resist. These parameters may help provide deeper insight into the underlying mechanisms of the EUV concepts of clearing volume and clearing radius, which are then defined and quantitatively calculated.

  2. Measurements of the absorption coefficient of stratospheric aerosols

    NASA Technical Reports Server (NTRS)

    Ogren, J. A.; Ahlquist, N. C.; Clarke, A. D.; Charlson, R. J.

    1981-01-01

    The absorption coefficients of stratospheric aerosols are measured using a variation on the integrating plate method. The technique is based on the decrease in the transparency of a substrate when an absorbing aerosol is deposited on it. A Lambert scatterer is placed behind the substrate to integrate forward scattered light and minimize the effect of scattering on the measurement. The low pressure in the stratosphere is used for the direct impaction of particles onto a narrow strip of opal glass. The eight samples collected had a median value of 4 x 10 to the -9th m with an uncertainty of + or - 5 x 10 to the -9th m. If this absorption is due to graphitic carbon, then its concentration is estimated at about 0.4 ng/cu m, or about 0.25% of the total aerosol mass concentration. Estimates of the aerosol scattering coefficients based on satellite extinction inversions result in an aerosol single-scattering albedo in the range of 0.96-1.0.

  3. Laboratory measurement of the absorption coefficient of riboflavin for ultraviolet light (365 nm).

    PubMed

    Iseli, Hans Peter; Popp, Max; Seiler, Theo; Spoerl, Eberhard; Mrochen, Michael

    2011-03-01

    Corneal cross-linking (CXL) is an increasingly used treatment technique for stabilizing the cornea in keratoconus. Cross-linking (polymerization) between collagen fibrils is induced by riboflavin (vitamin B2) and ultraviolet light (365 nm). Although reported to reach a constant value at higher riboflavin concentrations, the Lambert-Beer law predicts a linear increase in the absorption coefficient. This work was carried out to determine absorption behavior at different riboflavin concentrations and to further investigate the purported plateau absorption coefficient value of riboflavin and to identify possible bleaching effects. The Lambert-Beer law was used to calculate the absorption coefficient at various riboflavin concentrations. The following investigated concentrations of riboflavin solutions were prepared using a mixture of 0.5% riboflavin and 20% Dextran T500 dissolved in 0.9% sodium chloride solution: 0%, 0.02%, 0.03%, 0.04%, 0.05%, 0.06%, 0.08%, 0.1%, 0.2%, 0.3%, 0.4%, and 0.5%, and were investigated with and without aperture plate implementation. An additional test series measured the transmitted power at selected riboflavin concentrations over time. In diluted solutions, a linear correlation exists between the absorption coefficient and riboflavin concentration. The absorption coefficient reaches a plateau, but this occurs at a higher riboflavin concentration (0.1%) than previously reported (just above 0.04%). Transmitted light power increases over time, indicating a bleaching effect of riboflavin. The riboflavin concentration can be effectively varied as a treatment parameter in a considerably broader range than previously thought. Copyright 2011, SLACK Incorporated.

  4. Absorption coefficients for water vapor at 193 nm from 300 to 1073 K

    NASA Technical Reports Server (NTRS)

    Kessler, W. J.; Carleton, K. L.; Marinelli, W. J.

    1993-01-01

    Measurements of the water absorption coefficient at 193 nm from 300 to 1073 K are reported. The measurements were made using broadband VUV radiation and a monochromator-based detection system. The water vapor was generated by a saturator and metered into a flowing, 99 cm absorption cell via a water vapor mass flow meter. The 193 nm absorption coefficient measurements are compared to room temperature and high temperature shock tube measurements with good agreement. The absorption can be parameterized by a nu3 vibrational mode reaction coordinate and the thermal population of the nu3 mode.

  5. The effect of pathological processes on absorption and scattering spectra of samples of bile and pancreatic juice

    NASA Astrophysics Data System (ADS)

    Giraev, K. M.; Ashurbekov, N. A.; Magomedov, M. A.; Murtazaeva, A. A.; Medzhidov, R. T.

    2015-07-01

    Spectra of optical transmission coefficients and optical reflectance for bile and pancreatic juice samples were measured experimentally for different forms of pathologies of the pancreas within the range of 250-2500 nm. The absorption and scattering spectra, as well as the spectrum of the anisotropy factor of scattering, were determined based on the results obtained using the reverse Monte Carlo method. The surface morphology for the corresponding samples of the biological media was studied employing electron microscopy. The dynamics of the optical properties of the biological media was determined depending on the stage of the pathology. It has been demonstrated that the results of the study presented are in a good agreement with pathophysiological data and could supplement and broaden the results of conventional methods for diagnostics of the pancreas.

  6. On the frequency spectra of the core magnetic field Gauss coefficients

    NASA Astrophysics Data System (ADS)

    Lesur, Vincent; Wardinski, Ingo; Baerenzung, Julien; Holschneider, Matthias

    2018-03-01

    From monthly mean observatory data spanning 1957-2014, geomagnetic field secular variation values were calculated by annual differences. Estimates of the spherical harmonic Gauss coefficients of the core field secular variation were then derived by applying a correlation based modelling. Finally, a Fourier transform was applied to the time series of the Gauss coefficients. This process led to reliable temporal spectra of the Gauss coefficients up to spherical harmonic degree 5 or 6, and down to periods as short as 1 or 2 years depending on the coefficient. We observed that a k-2 slope, where k is the frequency, is an acceptable approximation for these spectra, with possibly an exception for the dipole field. The monthly estimates of the core field secular variation at the observatory sites also show that large and rapid variations of the latter happen. This is an indication that geomagnetic jerks are frequent phenomena and that significant secular variation signals at short time scales - i.e. less than 2 years, could still be extracted from data to reveal an unexplored part of the core dynamics.

  7. Absorption spectra of PTCDI: A combined UV-Vis and TD-DFT study

    NASA Astrophysics Data System (ADS)

    Oltean, Mircea; Calborean, Adrian; Mile, George; Vidrighin, Mihai; Iosin, Monica; Leopold, Loredana; Maniu, Dana; Leopold, Nicolae; Chiş, Vasile

    2012-11-01

    Absorption spectra of PTCDI (3,4,9,10-perylene-tetracarboxylic-diimide) have been investigated in chloroform, N,N'-dimethylformamide (DMF) and dimethylsulfoxide (DMSO). While no signature of assembled PTCDI molecules is observed in chloroform solution, distinct bands assigned to their aggregation have been identified in DMF and DMSO solutions. PTCDI monomers show very similar absorption patterns in chloroform and DMSO solutions. Experimental data, including the vibronic structure of the absorption spectra were explained based on the Franck-Condon approximation and quantum chemical results obtained at PBE0-DCP/6-31+G(d,p) level of theory. Geometry optimization of the first excited state leads to a nice agreement between the calculated adiabatic transition energies and experimental data.

  8. Collision-Induced Absorption Spectra of Binary Mixtures of Molecular Hydrogen with Molecular Deuterium and Argon and of Pure Hydrogen, D

    NASA Astrophysics Data System (ADS)

    Hsieh, Chang-Tsang William

    In the present research project a systematic study of the collision-induced infrared absorption (CIA) spectra of the binary mixtures of H_2 - D_2 in the region of the double fundamental vibrations of H_2 and D_2, and H_2 - Ar in the fundamental band of H_2, and of pure HD in its fundamental and first overtone regions was undertaken. The experiments were carried out with a 2.0 m high-pressure low-temperature transmission-type absorption cell at 77, 201 and 296 K at total gas densities up to 550 amagat. Infrared prism and grating spectrometers equipped with a microprocessor -controlled stepping motor were used to record the spectra. All the experimental results obtained represent first-time observations in collision-induced absorption. Collision-induced infrared absorption spectra of the double transitions of H_2(v=1>=ts 0) and D_2(v=1>=ts 0) have been observed at 77 and 201 K in the spectral region 7000-8000 cm^{-1} for total gas densities up to 550 amagat with a partial gas density ratio of 1:1 of H_2 and D_2. The observed spectra are interpreted in terms of the transitions, Q_1(J) of H_2+Q_1(J) of D _2, Q_1(J) of H_2+S _1(J) of D_2, S_1(J) of H_2 + Q_1(J) of D_2, and S_1(J) of H_2 + S_1(J) of D_2 for J = 0 and 1 for H _2 and J = 0, 1, and 2 for D_2. Analysis of the experimental absorption profiles was carried out using appropriate lineshape functions. The absorption coefficients, lineshape parameters, etc., are obtained from the analysis. Collision-induced enhancement absorption spectra of the fundamental band of H_2 in H_2 - Ar mixtures were recorded at room temperature for a base density of 72 amagat of H_2 for several partial densities of Ar up to 440 amagat. Hexadecapole-induced U transitions, U_1(1), U_1(2), Q_1(0)+U _0(1), and Q_1(1) + U_0(1) have been identified in the spectral region 5400 -6200 cm^{-1}. A "cage" model has been proposed to account for the double transitions of H_2 - H_2 in the H _2 - Ar enhancement spectra. From the analysis of the

  9. A parameterization scheme for the x-ray linear attenuation coefficient and energy absorption coefficient.

    PubMed

    Midgley, S M

    2004-01-21

    A novel parameterization of x-ray interaction cross-sections is developed, and employed to describe the x-ray linear attenuation coefficient and mass energy absorption coefficient for both elements and mixtures. The new parameterization scheme addresses the Z-dependence of elemental cross-sections (per electron) using a simple function of atomic number, Z. This obviates the need for a complicated mathematical formalism. Energy dependent coefficients describe the Z-direction curvature of the cross-sections. The composition dependent quantities are the electron density and statistical moments describing the elemental distribution. We show that it is possible to describe elemental cross-sections for the entire periodic table and at energies above the K-edge (from 6 keV to 125 MeV), with an accuracy of better than 2% using a parameterization containing not more than five coefficients. For the biologically important elements 1 < or = Z < or = 20, and the energy range 30-150 keV, the parameterization utilizes four coefficients. At higher energies, the parameterization uses fewer coefficients with only two coefficients needed at megavoltage energies.

  10. SimBAL: A Spectral Synthesis Approach to Analyzing Broad Absorption Line Quasar Spectra

    NASA Astrophysics Data System (ADS)

    Terndrup, Donald M.; Leighly, Karen; Gallagher, Sarah; Richards, Gordon T.

    2017-01-01

    Broad Absorption Line quasars (BALQSOs) show blueshifted absorption lines in their rest-UV spectra, indicating powerful winds emerging from the central engine. These winds are essential part of quasars: they can carry away angular momentum and thus facilitate accretion through a disk, they can distribute chemically-enriched gas through the intergalactic medium, and they may inject kinetic energy to the host galaxy, influencing its evolution. The traditional method of analyzing BALQSO spectra involves measuring myriad absorption lines, computing the inferred ionic column densities in each feature, and comparing with the output of photonionization models. This method is inefficient and does not handle line blending well. We introduce SimBAL, a spectral synthesis fitting method for BALQSOs, which compares synthetic spectra created from photoionization model results with continuum-normalized observed spectra using Bayesian model calibration. We find that we can obtain an excellent fit to the UV to near-IR spectrum of the low-redshift BALQSO SDSS J0850+4451, including lines from diverse ionization states such as PV, CIII*, SIII, Lyalpha, NV, SiIV, CIV, MgII, and HeI*.

  11. Determining CDOM Absorption Spectra in Diverse Coastal Environments Using a Multiple Pathlength, Liquid Core Waveguide System. Measuring the Absorption of CDOM in the Field Using a Multiple Pathlength Liquid Waveguide System

    NASA Technical Reports Server (NTRS)

    Miller, Richard L.; Belz, Mathias; DelCastillo, Carlos; Trzaska, Rick

    2000-01-01

    We evaluated the accuracy, sensitivity and precision of a multiple pathlength, liquid core waveguide (MPLCW) system for measuring colored dissolved organic matter (CDOM) absorption in the UV-visible spectral range (370-700 nm). The MPLCW has four optical paths (2.0, 9.8, 49.3, and 204 cm) coupled to a single Teflon AF sample cell. Water samples were obtained from inland, coastal and ocean waters ranging in salinity from 0 to 36 PSU. Reference solutions for the MPLCW were made having a refractive index of the sample. CDOM absorption coefficients, a(sub CDOM), and the slope of the log-linearized absorption spectra, S, were compared with values obtained using a dual-beam spectrophotometer. Absorption of phenol red secondary standards measured by the MPLCW at 558 nm were highly correlated with spectrophotometer values (r > 0.99) and showed a linear response across all four pathlengths. Values of a(sub CDOM) measured using the MPLCW were virtually identical to spectrophotometer values over a wide range of concentrations. The dynamic range of a(sub CDOM) for MPLCW measurements was 0.002 - 231.5/m. At low CDOM concentrations (a(sub 370) < 0.1/m) spectrophotometric a(sub CDOM) were slightly greater than MPLCW values and showed larger fluctuations at longer wavelengths due to limitations in instrument precision. In contrast, MPLCW spectra followed an exponential to 600 nm for all samples. The maximum deviation in replicate MPLCW spectra was less than 0.001 absorbance units. The portability, sampling, and optical characteristics of a MPLCW system provide significant enhancements for routine CDOM absorption measurements in a broad range of natural waters.

  12. Temperature-dependent mid-IR absorption spectra of gaseous hydrocarbons

    NASA Astrophysics Data System (ADS)

    Klingbeil, Adam E.; Jeffries, Jay B.; Hanson, Ronald K.

    2007-10-01

    Quantitative mid-IR absorption spectra (2500 3400 cm-1) for 12 pure hydrocarbon compounds are measured at temperatures ranging from 25 to 500 °C using an FTIR spectrometer. The hydrocarbons studied are n-pentane, n-heptane, n-dodecane, 2,2,4-trimethyl-pentane (iso-octane), 2-methyl-butane, 2-methyl-pentane, 2,4,4-trimethyl-1-pentene, 2-methyl-2-butene, propene, toluene, m-xylene, and ethylbenzene. Room-temperature measurements of neat hydrocarbon vapor were made with an instrument resolution of both 0.1 and 1 cm-1 (FWHM) to confirm that the high-resolution setting was required only to resolve the propene absorption spectrum while the spectra of the other hydrocarbons could be resolved with 1 cm-1 resolution. High-resolution (0.1 cm-1), room-temperature measurements of neat hydrocarbons were made at low pressure (˜1 Torr, 133 Pa) and compared to measurements of hydrocarbon/N2 mixtures at atmospheric pressure to verify that no pressure broadening could be observed over this pressure range. The temperature was varied between 25 and 500 °C for atmospheric-pressure measurements of hydrocarbon/N2 mixtures (Xhydrocarbon˜0.06 1.5%) and it was found that the absorption cross section shows simple temperature-dependent behavior for a fixed wavelength over this temperature range. Comparisons with previous FTIR data over a limited temperature range and with high-resolution laser absorption data over a wide temperature range show good agreement.

  13. Semi-analytical Model for Estimating Absorption Coefficients of Optically Active Constituents in Coastal Waters

    NASA Astrophysics Data System (ADS)

    Wang, D.; Cui, Y.

    2015-12-01

    The objectives of this paper are to validate the applicability of a multi-band quasi-analytical algorithm (QAA) in retrieval absorption coefficients of optically active constituents in turbid coastal waters, and to further improve the model using a proposed semi-analytical model (SAA). The ap(531) and ag(531) semi-analytically derived using SAA model are quite different from the retrievals procedures of QAA model that ap(531) and ag(531) are semi-analytically derived from the empirical retrievals results of a(531) and a(551). The two models are calibrated and evaluated against datasets taken from 19 independent cruises in West Florida Shelf in 1999-2003, provided by SeaBASS. The results indicate that the SAA model produces a superior performance to QAA model in absorption retrieval. Using of the SAA model in retrieving absorption coefficients of optically active constituents from West Florida Shelf decreases the random uncertainty of estimation by >23.05% from the QAA model. This study demonstrates the potential of the SAA model in absorption coefficients of optically active constituents estimating even in turbid coastal waters. Keywords: Remote sensing; Coastal Water; Absorption Coefficient; Semi-analytical Model

  14. Approximating the near-edge mass absorption coefficients for Ni using an ultra-thin bimetal foil

    DOE PAGES

    Alkire, Randall W.

    2016-11-01

    In an effort to improve the characteristics of a fluorescing metal-foil-based beam position monitor, a new bimetal ultra-thin (0.98/0.67 µm) Ti–Ni foil was introduced to replace an existing single-element ultra-thin 0.5 µm thick Cr foil. During characterization it was determined that absorption measurements on the bimetal foil could be used to fit the Ni mass absorption coefficients accurately in the vicinity of the NiKedge. Comparison with experimental results from the literature demonstrated that the fitting procedure produced coefficients with uncertainties of the order of ±1%. Once determined, these fit coefficients allowed the thickness of an independently mounted 8 µm thickmore » Ni foil to be computed from absorption measurements instead of relying on a tool-based measurement of the foil thickness. Using the 8 µm thick foil, a continuous map of Ni mass absorption coefficients was produced at 1 eV resolution throughout the near-edge region. Lastly, this high-resolution map marks a significant improvement over the existing NIST XCOM or FFAST database mass absorption coefficients, which have estimated errors of 10–20% for the near-edge region.« less

  15. Theoretical studies on absorption, emission, and resonance Raman spectra of Coumarin 343 isomers

    NASA Astrophysics Data System (ADS)

    Wu, Wenpeng; Cao, Zexing; Zhao, Yi

    2012-03-01

    The vibrationally resolved spectral method and quantum chemical calculations are employed to reveal the structural and spectral properties of Coumarin 343 (C343), an ideal candidate for organic dye photosensitizers, in vacuum and solution. The results manifest that the ground-state energies are dominantly determined by different placements of hydrogen atom in carboxylic group of C343 conformations. Compared to those in vacuum, the electronic absorption spectra in methanol solvent show a hyperchromic property together with the redshift and blueshift for the neutral C343 isomers and their deprotonated anions, respectively. From the absorption, emission, and resonance Raman spectra, it is found that the maximal absorption and emission come from low-frequency modes whereas the high-frequency modes have high Raman activities. The detailed spectra are further analyzed for the identification of the conformers and understanding the potential charge transfer mechanism in their photovoltaic applications.

  16. Study of the absorption spectra of Fricke Xylenol Orange gel dosimeters

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gambarini, Grazia; Artuso, Emanuele; Liosi, Giulia Maria

    2015-07-01

    A systematic study of the absorption spectra of Fricke Xylenol Orange gel dosimeters has been performed, in the wavelength range from 300 nm to 700 nm. The spectrum of Xylenol Orange (without ferrous sulphate solution) has been achieved, in order to subtract its contribution from the absorption spectra of the irradiated Fricke Xylenol Orange gel dosimeters. The absorbance due to ferric ions chelated by Xylenol Orange has been studied for various irradiation doses. Two absorbance peaks are visible, mainly at low doses: the first peak increases with the dose more slowly than the second one. This effect can explain themore » apparent threshold dose that was frequently evidenced. (authors)« less

  17. Measurement of the sound absorption coefficient for an advanced undergraduate physics laboratory

    NASA Astrophysics Data System (ADS)

    Macho-Stadler, E.; Elejalde-García, M. J.

    2017-09-01

    We present a simple experiment that allows advanced undergraduates to learn the basics of the acoustic properties of materials. The impedance tube-standing wave method is applied to study the normal absorption coefficient of acoustics insulators. The setup includes a tube, a speaker, a microphone, a digital function generator and an oscilloscope, material available in an undergraduate laboratory. Results of the change of the absorption coefficient with the frequency, the sample thickness and the sample density are analysed and compared with those obtained with a commercial system.

  18. First Principles Optical Absorption Spectra of Organic Molecules Adsorbed on Titania Nanoparticles

    NASA Astrophysics Data System (ADS)

    Baishya, Kopinjol; Ogut, Serdar; Mete, Ersen; Gulseren, Oguz; Ellialtioglu, Sinasi

    2012-02-01

    We present results from first principles computations on passivated rutile TiO2 nanoparticles in both free-standing and dye-sensitized configurations to investigate the size dependence of their optical absorption spectra. The computations are performed using time-dependent density functional theory (TDDFT) as well as GW-Bethe-Salpeter-Equation (GWBSE) methods and compared with each other. We interpret the first principles spectra for free-standing TiO2 nanoparticles within the framework of the classical Mie-Gans theory using the bulk dielectric function of TiO2. We investigate the effects of the titania support on the absorption spectra of a particular set of perylene-diimide (PDI) derived dye molecules, namely brominated PDI (Br2C24H8N2O4) and its glycine and aspartine derivatives.

  19. Two-photon interband absorption coefficients in tungstate and molybdate crystals

    NASA Astrophysics Data System (ADS)

    Lukanin, V. I.; Karasik, A. Ya.

    2015-02-01

    Two-photon absorption (TPA) coefficients were measured in tungstate and molybdate crystals - BaWO4, KGW, CaMoO4, BaMoO4, CaWO4, PbWO4 and ZnWO4 upon different orientations of excitation polarization with respect to the crystallographic axes. Trains of 25 ps pulses with variable radiation intensities of third (349 nm) harmonics of passively mode-locked 1047 nm Nd:YLF laser were used for interband two-photon excitation of the crystals. It was suggested that in the case, when 349 nm radiation pumping energy exceeds the bandgap width (hν>Eg), the nonlinear excitation process can be considered as two-step absorption. The interband two-photon absorption in all the studied crystals induces the following one-photon absorption from the exited states, which affects the nonlinear process dynamics and leads to a hysteresis in the dependence of the transmission on the excitation intensity. This fact was taken into account under analysis of the experimental dependences of the reciprocal transmission on the excitation intensity. Laser excitation in the transparency region of the crystals caused stimulated Raman scattering (SRS) not for all the crystals studied. The measured nonlinear coefficients allowed us to explain the suppression of SRS in crystals as a result of competition between the SRS and TPA.

  20. Excitation of photosystem I by 760 nm femtosecond laser pulses: transient absorption spectra and intermediates

    NASA Astrophysics Data System (ADS)

    Cherepanov, Dmitry A.; Shelaev, Ivan V.; Gostev, Fedor E.; Mamedov, Mahir D.; Petrova, Anastasia A.; Aybush, Arseniy V.; Shuvalov, Vladimir A.; Semenov, Alexey Yu; Nadtochenko, Victor A.

    2017-09-01

    Excitation of photosystem I (PS I) by a femtosecond 760 nm pump leads to one- and two-photon absorption. The one-photon excitation produces intermediates with transient absorption spectra similar to the spectra of the primary [{{{P}}700}+{{{A}}0}-{{A}}1] and secondary [{{{P}}700}+{{A}}0{{{A}}1}-] ion-radical pairs in the PS I reaction center. The two-photon absorption generates the upper level excited states of chlorophyll (Chl) and carotenoid molecules in the antenna. These excited states are converted into the long-lived intermediates and can be tentatively attributed to the excited and charge-transfer ion-radical states of Chl molecules and to the excited states of carotenoids in the antenna. The transient spectra of intermediates generated by two-photon excitation differ from the transient one-photon spectra of the primary and secondary ion-radical pairs.

  1. Absorption Spectra of Fe, Mn, and Mg Water Complexes Calculated Using Density Functional Theory

    DTIC Science & Technology

    2013-08-20

    Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--13-9479 Absorption Spectra of Fe, Mn, and Mg Water Complexes Calculated Using ...ABSTRACT c. THIS PAGE 18. NUMBER OF PAGES 17. LIMITATION OF ABSTRACT Absorption Spectra of Fe, Mn, and Mg Water Complexes Calculated Using Density...structure associated with Fe, Mn, and Mg water complexes using time-dependent density functional theory (TD-DFT). Calculation of excited state resonance

  2. Absorption Coefficient of a Semiconductor Thin Film from Photoluminescence

    NASA Astrophysics Data System (ADS)

    Rey, G.; Spindler, C.; Babbe, F.; Rachad, W.; Siebentritt, S.; Nuys, M.; Carius, R.; Li, S.; Platzer-Björkman, C.

    2018-06-01

    The photoluminescence (PL) of semiconductors can be used to determine their absorption coefficient (α ) using Planck's generalized law. The standard method, suitable only for self-supported thick samples, like wafers, is extended to multilayer thin films by means of the transfer-matrix method to include the effect of the substrate and optional front layers. α values measured on various thin-film solar-cell absorbers by both PL and photothermal deflection spectroscopy (PDS) show good agreement. PL measurements are extremely sensitive to the semiconductor absorption and allow us to advantageously circumvent parasitic absorption from the substrate; thus, α can be accurately determined down to very low values, allowing us to investigate deep band tails with a higher dynamic range than in any other method, including spectrophotometry and PDS.

  3. Exciton Absorption Spectra by Linear Response Methods:Application to Conjugated Polymers

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mosquera, Martin A.; Jackson, Nicholas E.; Fauvell, Thomas J.

    The theoretical description of the timeevolution of excitons requires, as an initial step, the calculation of their spectra, which has been inaccessible to most users due to the high computational scaling of conventional algorithms and accuracy issues caused by common density functionals. Previously (J. Chem. Phys. 2016, 144, 204105), we developed a simple method that resolves these issues. Our scheme is based on a two-step calculation in which a linear-response TDDFT calculation is used to generate orbitals perturbed by the excitonic state, and then a second linear-response TDDFT calculation is used to determine the spectrum of excitations relative to themore » excitonic state. Herein, we apply this theory to study near-infrared absorption spectra of excitons in oligomers of the ubiquitous conjugated polymers poly(3-hexylthiophene) (P3HT), poly(2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene) (MEH-PPV), and poly(benzodithiophene-thieno[3,4-b]thiophene) (PTB7). For P3HT and MEH-PPV oligomers, the calculated intense absorption bands converge at the longest wavelengths for 10 monomer units, and show strong consistency with experimental measurements. The calculations confirm that the exciton spectral features in MEH-PPV overlap with those of the bipolaron formation. In addition, our calculations identify the exciton absorption bands in transient absorption spectra measured by our group for oligomers (1, 2, and 3 units) of PTB7. For all of the cases studied, we report the dominant orbital excitations contributing to the optically active excited state-excited state transitions, and suggest a simple rule to identify absorption peaks at the longest wavelengths. We suggest our methodology could be considered for further evelopments in theoretical transient spectroscopy to include nonadiabatic effects, coherences, and to describe the formation of species such as charge-transfer states and polaron pairs.« less

  4. Composite Spectra of Broad Absorption Line Quasars in SDSS-III BOSS

    NASA Astrophysics Data System (ADS)

    Herbst, Hanna; Hamann, Fred; Paris, Isabelle; Capellupo, Daniel M.

    2017-01-01

    We present preliminary results from a study of broad absorption line (BAL) quasars in the SDSS-III BOSS survey. We’re particularly interested in BALs because they arise from quasar outflows, which may be a source of feedback to the host galaxy. We analyze median composite spectra for BOSS QSOs in the redshift range 2.1 to 3.4 sorted by the strength of the BAL absorption troughs, parameterized by the Balnicity Index (BI), to study trends in the emission and absorption properties of BAL quasars. The wavelength coverage and high number of quasars observed in the BOSS survey allow us to examine BALs in the Lyman forest. Our main preliminary results when sorting the quasars by BI are 1) doublet absorption lines such as P V 1128A show a 1:1 ratio across all BI, indicating large column densities at all BI. This suggests that weaker BAL troughs result from smaller covering fractions rather than lower column densities. 2) The He II emission line, which is a measure of the far-UV/near-UV hardness of the ionizing continuum, is weaker in the larger BI composite spectra, indicating a far-UV spectral softening correlated with BI. This is consistent with the radiatively-driven BAL outflows being helped by intrinsically weaker ionizing continuum shapes (e.g., Baskin, Laor, and Hamann 2013). We also find a trend for slightly redder continuum slopes in the larger BI composite spectra, suggesting that the slope differences in the near-UV are also intrinsic.

  5. Trident: A Universal Tool for Generating Synthetic Absorption Spectra from Astrophysical Simulations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hummels, Cameron B.; Smith, Britton D.; Silvia, Devin W.

    Hydrodynamical simulations are increasingly able to accurately model physical systems on stellar, galactic, and cosmological scales; however, the utility of these simulations is often limited by our ability to directly compare them with the data sets produced by observers: spectra, photometry, etc. To address this problem, we have created trident, a Python-based open-source tool for post-processing hydrodynamical simulations to produce synthetic absorption spectra and related data. trident can (i) create absorption-line spectra for any trajectory through a simulated data set mimicking both background quasar and down-the-barrel configurations; (ii) reproduce the spectral characteristics of common instruments like the Cosmic Origins Spectrograph;more » (iii) operate across the ultraviolet, optical, and infrared using customizable absorption-line lists; (iv) trace simulated physical structures directly to spectral features; (v) approximate the presence of ion species absent from the simulation outputs; (vi) generate column density maps for any ion; and (vii) provide support for all major astrophysical hydrodynamical codes. trident was originally developed to aid in the interpretation of observations of the circumgalactic medium and intergalactic medium, but it remains a general tool applicable in other contexts.« less

  6. Trident: A Universal Tool for Generating Synthetic Absorption Spectra from Astrophysical Simulations

    NASA Astrophysics Data System (ADS)

    Hummels, Cameron B.; Smith, Britton D.; Silvia, Devin W.

    2017-09-01

    Hydrodynamical simulations are increasingly able to accurately model physical systems on stellar, galactic, and cosmological scales; however, the utility of these simulations is often limited by our ability to directly compare them with the data sets produced by observers: spectra, photometry, etc. To address this problem, we have created trident, a Python-based open-source tool for post-processing hydrodynamical simulations to produce synthetic absorption spectra and related data. trident can (I) create absorption-line spectra for any trajectory through a simulated data set mimicking both background quasar and down-the-barrel configurations; (II) reproduce the spectral characteristics of common instruments like the Cosmic Origins Spectrograph; (III) operate across the ultraviolet, optical, and infrared using customizable absorption-line lists; (IV) trace simulated physical structures directly to spectral features; (v) approximate the presence of ion species absent from the simulation outputs; (VI) generate column density maps for any ion; and (vii) provide support for all major astrophysical hydrodynamical codes. trident was originally developed to aid in the interpretation of observations of the circumgalactic medium and intergalactic medium, but it remains a general tool applicable in other contexts.

  7. Estimation of the absorption coefficients of two-layered media by a simple method using spatially and time-resolved reflectances

    NASA Astrophysics Data System (ADS)

    Shimada, M.; Sato, C.; Hoshi, Y.; Yamada, Y.

    2009-08-01

    Our newly developed method using spatially and time-resolved reflectances can easily estimate the absorption coefficients of each layer in a two-layered medium if the thickness of the upper layer and the reduced scattering coefficients of the two layers are known a priori. We experimentally validated this method using phantoms and examined its possibility of estimating the absorption coefficients of the tissues in human heads. In the case of a homogeneous plastic phantom (polyacetal block), the absorption coefficient estimated by our method agreed well with that obtained by a conventional method. Also, in the case of two-layered phantoms, our method successfully estimated the absorption coefficients of the two layers. Furthermore, the absorption coefficients of the extracerebral and cerebral tissue inside human foreheads were estimated under the assumption that the human heads were two-layered media. It was found that the absorption coefficients of the cerebral tissues were larger than those of the extracerebral tissues.

  8. Sound absorption coefficient of coal bottom ash concrete for railway application

    NASA Astrophysics Data System (ADS)

    Ramzi Hannan, N. I. R.; Shahidan, S.; Maarof, Z.; Ali, N.; Abdullah, S. R.; Ibrahim, M. H. Wan

    2017-11-01

    A porous concrete able to reduce the sound wave that pass through it. When a sound waves strike a material, a portion of the sound energy was reflected back and another portion of the sound energy was absorbed by the material while the rest was transmitted. The larger portion of the sound wave being absorbed, the lower the noise level able to be lowered. This study is to investigate the sound absorption coefficient of coal bottom ash (CBA) concrete compared to the sound absorption coefficient of normal concrete by carried out the impedance tube test. Hence, this paper presents the result of the impedance tube test of the CBA concrete and normal concrete.

  9. Hierarchy of stochastic Schrödinger equation towards the calculation of absorption and circular dichroism spectra.

    PubMed

    Ke, Yaling; Zhao, Yi

    2017-05-07

    A theoretically solid and numerically exact method is presented for the calculation of absorption and circular dichroism (CD) spectra of molecular aggregates immersed in a harmonic bath constituted as the combination of some prominent quantized vibrational modes and continuous overdamped Brownian oscillators. The feasibility and the validity of newly proposed method are affirmed in the analytical monomer spectra. To go beyond the independent local bath approximation, all the correlations of site energy fluctuations and excitonic coupling fluctuations are included in our strategy, and their influence on the absorption and CD spectra is investigated based on the Frenkel exciton model of homodimer. In the end, a good fit of the absorption and part of CD spectra for the entire B800-B850 ring in the light-harvesting complexes 2 of purple bacteria to the experimental data is given, and the simulation results suggest that the asymmetry in the 800 nm region of CD spectra is actually an indication of B800-B850 inter-ring coupling.

  10. Hierarchy of stochastic Schrödinger equation towards the calculation of absorption and circular dichroism spectra

    NASA Astrophysics Data System (ADS)

    Ke, Yaling; Zhao, Yi

    2017-05-01

    A theoretically solid and numerically exact method is presented for the calculation of absorption and circular dichroism (CD) spectra of molecular aggregates immersed in a harmonic bath constituted as the combination of some prominent quantized vibrational modes and continuous overdamped Brownian oscillators. The feasibility and the validity of newly proposed method are affirmed in the analytical monomer spectra. To go beyond the independent local bath approximation, all the correlations of site energy fluctuations and excitonic coupling fluctuations are included in our strategy, and their influence on the absorption and CD spectra is investigated based on the Frenkel exciton model of homodimer. In the end, a good fit of the absorption and part of CD spectra for the entire B800-B850 ring in the light-harvesting complexes 2 of purple bacteria to the experimental data is given, and the simulation results suggest that the asymmetry in the 800 nm region of CD spectra is actually an indication of B800-B850 inter-ring coupling.

  11. Near infrared cavity enhanced absorption spectra of atmospherically relevant ether-1, 4-Dioxane.

    PubMed

    Chandran, Satheesh; Varma, Ravi

    2016-01-15

    1, 4-Dioxane (DX) is a commonly found ether in industrially polluted atmosphere. The near infrared absorption spectra of this compound has been recorded in the region 5900-8230 cm(-1) with a resolution of 0.08 cm(-1) using a novel Fourier transform incoherent broadband cavity-enhanced absorption spectrometer (FT-IBBCEAS). All recorded spectra were found to contain regions that are only weakly perturbed. The possible combinations of fundamental modes and their overtone bands corresponding to selected regions in the measured spectra are tabulated. Two interesting spectral regions were identified as 5900-6400 cm(-1) and 8100-8230 cm(-1). No significant spectral interference due to presence of water vapor was observed suggesting the suitability of these spectral signatures for spectroscopic in situ detection of DX. The technique employed here is much more sensitive than standard Fourier transform spectrometer measurements on account of long effective path length achieved. Hence significant enhancement of weaker absorption lines above the noise level was observed as demonstrated by comparison with an available measurement from database. Copyright © 2015 Elsevier B.V. All rights reserved.

  12. Studies of Time-Resolved Fluorescence Spectroscopy and Resolved Absorption Spectra of Nucleic Acid Components.

    NASA Astrophysics Data System (ADS)

    Fu, Yingxian

    1993-01-01

    There is considerable uncertainty about dynamic aspects of the photophysics of the adenylyl chromophore, stemming from the discordant values reported for the room temperature fluorescence lifetimes (tau_1 = 5 ps, tau_2 = 330 ps for 9MeAde; tau_1 = 290 ps, tau_2 = 4.17 ns for ATP). Spectra reported in conjunction with these lifetimes create difficulties in assignment of emission. To clarify this situation I have investigated the fluorescence decay times and time -resolved emission spectra of adenylyl compounds under a variety of conditions (concentration, pH, solvent) using sub-ns laser excitation at 265 nm together with gated fast sampling (100 ps) detection and signal averaging. Multi -component decays and spectra are observed in aqueous solution. Major slow components (tau = 4.4 +/- 0.2 ns) with emission maxima at 380 nm are found for all components at pH 1.1 and for ATP at pH 4.4. At pH 7 a fast component (<100 ps) predominates. There is no marked evidence for a concentration dependence, the oscillator strengths are 10^ {-3}-10^{-5} and transitions must be classified as weakly forbidden. Single component emission is observed in acetonitrile and ethanol. The UV absorption spectra of biomolecules d(CG) and polyd(GC)cdotpolyd(GC) exhibit the different hypochromic effects due to different interactions between guanosine(G) and cytidine(C) in stacked form. The present work has been carried out to explain this quantitatively. To approach this problem the absorption spectra of G and C have been resolved into gaussian components using the PeakFit program. The absorption spectra (220-310 nm) of d(CG) and polyd(GC)cdotpolyd(GC) have been fitted with gaussian components of G and C (in the order of increasing energy, G1 and G2, and C1, C2 and C3, respectively), and the contribution to both spectra from individual gaussians is estimated in terms of oscillator strengths. The fitting results suggest that the small hypochromism in absorption spectrum of d(CG) may be attributed

  13. Photoluminescence and gain/absorption spectra of a driven-dissipative electron-hole-photon condensate

    NASA Astrophysics Data System (ADS)

    Hanai, Ryo; Littlewood, Peter B.; Ohashi, Yoji

    2018-06-01

    We investigate theoretically nonequilibrium effects on photoluminescence and gain/absorption spectra of a driven-dissipative exciton-polariton condensate, by employing the combined Hartree-Fock-Bogoliubov theory with the generalized random phase approximation extended to the Keldysh formalism. Our calculated photoluminescence spectra is in semiquantitative agreement with experiments, where features such as a blue shift of the emission from the condensate, the appearance of the dispersionless feature of a diffusive Goldstone mode, and the suppression of the dispersive profile of the mode are obtained. We show that the nonequilibrium nature of the exciton-polariton condensate strongly suppresses the visibility of the Bogoliubov dispersion in the negative energy branch (ghost branch) in photoluminescence spectra. We also show that the trace of this branch can be captured as a hole burning effect in gain/absorption spectra. Our results indicate that the nonequilibrium nature of the exciton-polariton condensate strongly reduces quantum depletion, while a scattering channel to the ghost branch is still present.

  14. Protonation effects on the UV/Vis absorption spectra of imatinib: a theoretical and experimental study.

    PubMed

    Grante, Ilze; Actins, Andris; Orola, Liana

    2014-08-14

    An experimental and theoretical investigation of protonation effects on the UV/Vis absorption spectra of imatinib showed systematic changes of absorption depending on the pH, and a new absorption band appeared below pH 2. These changes in the UV/Vis absorption spectra were interpreted using quantum chemical calculations. The geometry of various imatinib cations in the gas phase and in ethanol solution was optimized with the DFT/B3LYP method. The resultant geometries were compared to the experimentally determined crystal structures of imatinib salts. The semi-empirical ZINDO-CI method was employed to calculate the absorption lines and electronic transitions. Our study suggests that the formation of the extra near-UV absorption band resulted from an increase of imatinib trication concentration in the solution, while the rapid increase of the first absorption maximum could be attributed to both the formation of imatinib trication and tetracation. Copyright © 2014 Elsevier B.V. All rights reserved.

  15. Tunable diode laser measurements of HO2NO2 absorption coefficients near 12.5 microns

    NASA Technical Reports Server (NTRS)

    May, R. D.; Molina, L. T.; Webster, C. R.

    1988-01-01

    A tunable diode laser spectrometer has been used to measure absorption coefficients of peroxynitric acid (HO2NO2) near the 803/cm Q branch. HO2NO2 concentrations in a low-pressure flowing gas mixture were determined from chemical titration procedures and UV absorption spectroscopy. The diode laser measured absorption coefficients, at a spectral resolution of better than 0.001/cm, are about 10 percent larger than previous Fourier transform infrared measurements made at a spectral resolution of 0.06/cm.

  16. A Simple Demonstration of Absorption Spectra Using Tungsten Holiday Lights

    ERIC Educational Resources Information Center

    Birriel, Jennifer J.

    2009-01-01

    In a previous paper submitted to the Demonstrations section (Birriel 2008, "Astronomy Education Review," 7, 147), I discussed using commercially available incandescent light bulbs for the purpose of demonstrating absorption spectra in the classroom or laboratory. This demonstration solved a long-standing problem that many of astronomy instructors…

  17. Spectra of Particulate Backscattering in Natural Waters

    NASA Technical Reports Server (NTRS)

    Gordon, Howard, R.; Lewis, Marlon R.; McLean, Scott D.; Twardowski, Michael S.; Freeman, Scott A.; Voss, Kenneth J.; Boynton, Chris G.

    2009-01-01

    Hyperspectral profiles of downwelling irradiance and upwelling radiance in natural waters (oligotrophic and mesotrophic) are combined with inverse radiative transfer to obtain high resolution spectra of the absorption coefficient (a) and the backscattering coefficient (bb) of the water and its constituents. The absorption coefficient at the mesotrophic station clearly shows spectral absorption features attributable to several phytoplankton pigments (Chlorophyll a, b, c, and Carotenoids). The backscattering shows only weak spectral features and can be well represented by a power-law variation with wavelength (lambda): b(sub b) approx. Lambda(sup -n), where n is a constant between 0.4 and 1.0. However, the weak spectral features in b(sub b), suggest that it is depressed in spectral regions of strong particle absorption. The applicability of the present inverse radiative transfer algorithm, which omits the influence of Raman scattering, is limited to lambda < 490 nm in oligotrophic waters and lambda < 575 nm in mesotrophic waters.

  18. Absorption in X-ray spectra of high-redshift quasars

    NASA Technical Reports Server (NTRS)

    Elvis, Martin; Fiore, Fabrizio; Wilkes, Belinda; Mcdowell, Jonathan; Bechtold, Jill

    1994-01-01

    We present evidence that X-ray absorption is common in high-redshift quasars. We have studied six high-redshift (z approximately 3) quasars with the ROSAT Position Sensitive Proportional Counter (PSPC) of which four are in directions of low Galactic N(sub H). Three out of these four show excess absorption, while only three in approximately 50 z approximately less than 0.4 quasars do, indicating that such absorption must be common, but not ubiquitous, at high redshifts, and that the absorbers must lie at z greater than 0.4. The six quasars were: S5 0014+81, Q0420-388, PKS 0438-436, S4 0636+680. PKS 2000-330, PKS 2126-158, which have redshifts between 2.85 and 3.78. PKS 0438-436 and PKS 2126-158 show evidence for absorption above the local Galactic value at better than 99.999% confidence level. If the absorber is at the redshift of the quasar, then values of N(sub H) = (0.86(+0.49, -0.28)) x 10(exp 22) atoms/sq cm for PKS 0438-436, and N(sub H) = (1.45(+1.20, -0.64)) x 10(exp 22) atoms/ sq cm for PKS 2126-158, are implied, assuming solar abundances. The spectrum of S4 0636+680 also suggests the presence of a similarly large absorption column density at the 98% confidence level. This absorption reverses the trend for the most luminous active galactic nuclei (AGN) to have the least X-ray absorption, so a new mechanism is likely to be responsible. Intervening absorption due to damped Lyman(alpha) systems is a plausible cause. We also suggest, as an intrinsic model, that intracluster material, e.g., a cooling flow, around the quasar could account for both the X-ray spectrum and other properties of these quasars. All the quasars are radio-loud and three are gigahertz peaked (two of the three showing absorption). No excess absorption above the Galactic value is seen toward Q0420-388. This quasar has two damped Lyman(alpha) systems at z = 3.08. The limit on the X-ray column density implies a low ionization fraction, N(H I)/N(H) approximately greater than 4 x 10(exp -3) (3

  19. THERMAL ABSORPTION AS THE CAUSE OF GIGAHERTZ-PEAKED SPECTRA IN PULSARS AND MAGNETARS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lewandowski, Wojciech; Rożko, Karolina; Kijak, Jarosław

    2015-07-20

    We present a model that explains the observed deviation of the spectra of some pulsars and magnetars from the power-law spectra that are seen in the bulk of the pulsar population. Our model is based on the assumption that the observed variety of pulsar spectra can be naturally explained by the thermal free–free absorption that takes place in the surroundings of the pulsars. In this context, the variety of the pulsar spectra can be explained according to the shape, density, and temperature of the absorbing media and the optical path of the line of sight across it. We have putmore » specific emphasis on the case of the radio magnetar SGR J1745–2900 (also known as the Sgr A* magnetar), modeling the rapid variations of the pulsar spectrum after the outburst of 2013 April as due to the free–free absorption of the radio emission in the electron material ejected during the magnetar outburst. The ejecta expands with time and consequently the absorption rate decreases and the shape of the spectrum changes in such a way that the peak frequency shifts toward the lower radio frequencies. In the hypothesis of an absorbing medium, we also discuss the similarity between the spectral behavior of the binary pulsar B1259–63 and the spectral peculiarities of isolated pulsars.« less

  20. Bottom Extreme-Ultraviolet-Sensitive Coating for Evaluation of the Absorption Coefficient of Ultrathin Film

    NASA Astrophysics Data System (ADS)

    Hijikata, Hayato; Kozawa, Takahiro; Tagawa, Seiichi; Takei, Satoshi

    2009-06-01

    A bottom extreme-ultraviolet-sensitive coating (BESC) for evaluation of the absorption coefficients of ultrathin films such as extreme ultraviolet (EUV) resists was developed. This coating consists of a polymer, crosslinker, acid generator, and acid-responsive chromic dye and is formed by a conventional spin-coating method. By heating the film after spin-coating, a crosslinking reaction is induced and the coating becomes insoluble. A typical resist solution can be spin-coated on a substrate covered with the coating film. The evaluation of the linear absorption coefficients of polymer films was demonstrated by measuring the EUV absorption of BESC substrates on which various polymers were spin-coated.

  1. Band-edge absorption coefficients from photoluminescence in semiconductor multiple quantum wells

    NASA Technical Reports Server (NTRS)

    Kost, Alan; Zou, Yao; Dapkus, P. D.; Garmire, Elsa; Lee, H. C.

    1989-01-01

    A novel approach to determining absorption coefficients in thin films using luminescence is described. The technique avoids many of the difficulties typically encountered in measurements of thin samples, Fabry-Perot effects, for example, and can be applied to a variety of materials. The absorption edge for GaAs/AlGaAs multiple quantum well structures, with quantum well widths ranging from 54 to 193 A is examined. Urbach (1953) parameters and excitonic linewidths are tabulated.

  2. Ionic species produced on gamma radiolysis: Studies by matrix isolation technique—I. Electronic absorption spectra of perfluorosubstituted aromatic radical anions

    NASA Astrophysics Data System (ADS)

    Shou-te, Lian C. T.; Mittal, Jai P.

    The absorption spectra of several perfluorosubstituted aromatic radical anions are compared with the corresponding perhydro compounds in which the various transitions involved have been assigned to those predicted theoretically. The electronic absorption spectra were obtained for pentafluorostyrene, pentafluorobenzaldehyde, pentafluorobenzoic acid, pentafluorobenzonitride, tetrafluorophthalic acid and pentafluoroaniline, by gamma radiolysis in 2-methyltetrahydrofuran at 77 K. A general similarity in the absorption spectra between the perfluorinated and the corresponding perhydro radical anion is observed except for a shift in the absorption band.

  3. Absorption and emission spectra of Li atoms trapped in rare gas matrices

    NASA Astrophysics Data System (ADS)

    Wright, J. J.; Balling, L. C.

    1980-10-01

    Pulsed-dye-laser excitation has been used to investigate the optical absorption and emission spectra of Li atoms trapped in Ar, Kr, and Xe matrices at 10 °K. Attempts to stabilize Li atoms in a Ne matrix at 2 °K were unsuccessful. Results for all three rare gases were qualitatively the same. White light absorption scans showed a single absorption with three peaks centered near the free-atom 2s→2p transition wavelength. The intensity of fluorescence produced by dye-laser excitation within this absorption band was measured as a function of emission wavelength. Excitation of the longest- and shortest-wavelength absorption peaks produced identical emission profiles, but no distinct fluorescence signal was detected when the laser was tuned to the central absorption peaks, indicating that the apparent absorption triplet is actually the superposition of a singlet and a doublet absorption originating from two different trapping sites. No additional absorption bands were detected.

  4. Determination of UV-visible-NIR absorption coefficient of graphite bulk using direct and indirect methods

    NASA Astrophysics Data System (ADS)

    Smausz, T.; Kondász, B.; Gera, T.; Ajtai, T.; Utry, N.; Pintér, M.; Kiss-Albert, G.; Budai, J.; Bozóki, Z.; Szabó, G.; Hopp, B.

    2017-10-01

    Absorption coefficient of graphite bulk pressed from 1 to 5 μm-sized crystalline grains was measured in UV-Vis-NIR range with three different methods: (i) determination of pulsed laser ablation rate as the function of laser fluence for different wavelengths (248, 337, 532, and 1064 nm, respectively); (ii) production of aerosol particles by UV laser ablation of the bulk graphite in inert atmosphere and determination of the mass-specific absorption coefficient with a four-wavelength (266, 355, 532, and 1064 nm, respectively) photoacoustic spectrometer, and (iii) spectroscopic ellipsometry in 250-1000 nm range. Taking into account the wide range of the absorption coefficients of different carbon structures, an overall relatively good agreement was observed for the three methods. The ellipsometric results fit well with the ablation rate measurement, and the data obtained with photoacoustic method are also similar in the UV and NIR region; however, the values were somewhat higher in visible and near-UV range. Taking into account the limitations of the methods, they can be promising candidates for the determination of absorption coefficient when the samples are strongly scattering and there is no possibility to perform transmissivity measurements.

  5. Effect of pyridine on infrared absorption spectra of copper phthalocyanine.

    PubMed

    Singh, Sukhwinder; Tripathi, S K; Saini, G S S

    2008-02-01

    Infrared absorption spectra of copper phthalocyanine in KBr pellet and pyridine solution in 400-1625 and 2900-3200 cm(-1)regions are reported. In the IR spectra of solid sample, presence of weak bands, which are forbidden according to the selection rules of D4h point group, is explained on the basis of distortion in the copper phthalocyanine molecule caused by the crystal packing effects. Observation of a new band at 1511 cm(-1) and change in intensity of some other bands in pyridine are interpreted on the basis of coordination of the solvent molecule with the central copper ion.

  6. Applications of principal component analysis to breath air absorption spectra profiles classification

    NASA Astrophysics Data System (ADS)

    Kistenev, Yu. V.; Shapovalov, A. V.; Borisov, A. V.; Vrazhnov, D. A.; Nikolaev, V. V.; Nikiforova, O. Y.

    2015-12-01

    The results of numerical simulation of application principal component analysis to absorption spectra of breath air of patients with pulmonary diseases are presented. Various methods of experimental data preprocessing are analyzed.

  7. Calculation of optical and K pre-edge absorption spectra for ferrous iron of distorted sites in oxide crystals

    NASA Astrophysics Data System (ADS)

    Vercamer, Vincent; Hunault, Myrtille O. J. Y.; Lelong, Gérald; Haverkort, Maurits W.; Calas, Georges; Arai, Yusuke; Hijiya, Hiroyuki; Paulatto, Lorenzo; Brouder, Christian; Arrio, Marie-Anne; Juhin, Amélie

    2016-12-01

    Advanced semiempirical calculations have been performed to compute simultaneously optical absorption and K pre-edge x-ray absorption spectra of Fe2 + in four distinct site symmetries found in minerals. The four symmetries, i.e., a distorted octahedron, a distorted tetrahedron, a square planar site, and a trigonal bipyramidal site, are representative of the Fe2 + sites found in crystals and glasses. A particular attention has been paid to the definition of the p -d hybridization Hamiltonian which occurs for noncentrosymmetric symmetries in order to account for electric dipole transitions. For the different sites under study, an excellent agreement between calculations and experiments was found for both optical and x-ray absorption spectra, in particular in terms of relative intensities and energy positions of electronic transitions. To our knowledge, these are the first calculations of optical absorption spectra on Fe2 + placed in such diverse site symmetries, including centrosymmetric sites. The proposed theoretical model should help to interpret the features of both the optical absorption and the K pre-edge absorption spectra of 3 d transition metal ions and to go beyond the usual fingerprint interpretation.

  8. Measurement and calculation of the sound absorption coefficient of pine wood charcoal

    NASA Astrophysics Data System (ADS)

    Suh, Jae Gap; Baik, Kyung min; Kim, Yong Tae; Jung, Sung Soo

    2013-10-01

    Although charcoal has been widely utilized for physical therapy and as a deodorant, water purifier, etc. due to its porous features, research on its role as a sound-absorbing material is rarely found. Thus, the sound absorption coefficients of pine wood charcoal were measured using an impedance tube and were compared with the theoretical predictions in the frequency range of 500˜ 5000 Hz. The theory developed in the current study only considers the lowest possible mode propagating along the air channels of the charcoal and shows good agreements with the measurements. As the frequency is increased, the sound absorption coefficients of pine wood charcoals also increase, but are lower than those of other commonly-used sound-absorbing materials.

  9. The absorption spectra of the complexes of uranium (VI) with some β-diketones

    USGS Publications Warehouse

    Feinstein, H.I.

    1956-01-01

    The absorption spectra of the complexes of uranium (VI) with four β-dike tones were determined under various conditions of pH, concentration of uranium, and alcohol concentration. Under optimum conditions, the maximum molar absorptivity (31,200) is obtained using 2-furoyltrifluoroacetone. This compares with about 4,000 and 19,000 for the thiocyanate and dibenzoylmethane complexes, respectively.

  10. Dependence of the electronic absorption spectra of aqueous solutions of iodine monochloride on the conditions of dilution and storage time

    NASA Astrophysics Data System (ADS)

    Klyubin, V. V.; Klyubina, K. A.; Makovetskaya, K. N.

    2017-04-01

    The electronic absorption spectra of aqueous solutions of iodine monochloride ICl are studied. The spectra of as-prepared solutions display the absorption band associated with hydrated ICl molecules. An additional band indicating that molecular iodine was formed in the solution emerges in the spectrum as dissolution takes place. Only the band belonging to iodine monochloride remains in the absorption spectra, and no additional bands appear after chloride anions Cl- are added to the solution. The absorption spectrum becomes more complex when ICl is dissolved in an alkaline medium. The band belonging to molecular iodine emerges in the spectra at low alkali concentrations, while being transformed to other shorter-wavelength bands at high alkali concentrations (pH ≥ 12).

  11. Exploration of faint absorption bands in the reflectance spectra of the asteroids by method of optimal smoothing: Vestoids

    NASA Astrophysics Data System (ADS)

    Shestopalov, D. I.; McFadden, L. A.; Golubeva, L. F.

    2007-04-01

    An optimization method of smoothing noisy spectra was developed to investigate faint absorption bands in the visual spectral region of reflectance spectra of asteroids and the compositional information derived from their analysis. The smoothing algorithm is called "optimal" because the algorithm determines the best running box size to separate weak absorption bands from the noise. The method is tested for its sensitivity to identifying false features in the smoothed spectrum, and its correctness of forecasting real absorption bands was tested with artificial spectra simulating asteroid reflectance spectra. After validating the method we optimally smoothed 22 vestoid spectra from SMASS1 [Xu, Sh., Binzel, R.P., Burbine, T.H., Bus, S.J., 1995. Icarus 115, 1-35]. We show that the resulting bands are not telluric features. Interpretation of the absorption bands in the asteroid spectra was based on the spectral properties of both terrestrial and meteorite pyroxenes. The bands located near 480, 505, 530, and 550 nm we assigned to spin-forbidden crystal field bands of ferrous iron, whereas the bands near 570, 600, and 650 nm are attributed to the crystal field bands of trivalent chromium and/or ferric iron in low-calcium pyroxenes on the asteroids' surface. While not measured by microprobe analysis, Fe 3+ site occupancy can be measured with Mössbauer spectroscopy, and is seen in trace amounts in pyroxenes. We believe that trace amounts of Fe 3+ on vestoid surfaces may be due to oxidation from impacts by icy bodies. If that is the case, they should be ubiquitous in the asteroid belt wherever pyroxene absorptions are found. Pyroxene composition of four asteroids of our set is determined from the band position of absorptions at 505 and 1000 nm, implying that there can be orthopyroxenes in all range of ferruginosity on the vestoid surfaces. For the present we cannot unambiguously interpret of the faint absorption bands that are seen in the spectra of 4005 Dyagilev, 4038

  12. Infrared absorption spectra of molecular crystals: Possible evidence for small-polaron formation?

    NASA Astrophysics Data System (ADS)

    Pržulj, Željko; Čevizović, Dalibor; Zeković, Slobodan; Ivić, Zoran

    2008-09-01

    The temperature dependence of the position of the so-called anomalous band peaked at 1650cm in the IR-absorption spectrum of crystalline acetanilide (ACN) is theoretically investigated within the small-polaron theory. Its pronounced shift towards the position of the normal band is predicted with the rise of temperature. Interpretation of the IR-absorption spectra in terms of small-polaron model has been critically assessed on the basis of these results.

  13. Determination of the quasi-TE mode (in-plane) graphene linear absorption coefficient via integration with silicon-on-insulator racetrack cavity resonators.

    PubMed

    Crowe, Iain F; Clark, Nicholas; Hussein, Siham; Towlson, Brian; Whittaker, Eric; Milosevic, Milan M; Gardes, Frederic Y; Mashanovich, Goran Z; Halsall, Matthew P; Vijayaraghaven, Aravind

    2014-07-28

    We examine the near-IR light-matter interaction for graphene integrated cavity ring resonators based on silicon-on-insulator (SOI) race-track waveguides. Fitting of the cavity resonances from quasi-TE mode transmission spectra reveal the real part of the effective refractive index for graphene, n(eff) = 2.23 ± 0.02 and linear absorption coefficient, α(gTE) = 0.11 ± 0.01dBμm(-1). The evanescent nature of the guided mode coupling to graphene at resonance depends strongly on the height of the graphene above the cavity, which places limits on the cavity length for optical sensing applications.

  14. Determination of Scattering and Absorption Coefficients for Plasma-Sprayed Yttria-Stabilized Zirconia Thermal Barrier Coatings at Elevated Temperatures

    NASA Technical Reports Server (NTRS)

    Eldridge, Jeffrey I.; Spuckler, Charles M.; Markham, James R.

    2009-01-01

    The temperature dependence of the scattering and absorption coefficients for a set of freestanding plasma-sprayed 8 wt% yttria-stabilized zirconia (8YSZ) thermal barrier coatings (TBCs) was determined at temperatures up to 1360 C in a wavelength range from 1.2 micrometers up to the 8YSZ absorption edge. The scattering and absorption coefficients were determined by fitting the directional-hemispherical reflectance and transmittance values calculated by a four-flux Kubelka Munk method to the experimentally measured hemispherical-directional reflectance and transmittance values obtained for five 8YSZ thicknesses. The scattering coefficient exhibited a continuous decrease with increasing wavelength and showed no significant temperature dependence. The scattering is primarily attributed to the relatively temperature-insensitive refractive index mismatch between the 8YSZ and its internal voids. The absorption coefficient was very low (less than 1 per centimeter) at wavelengths between 2 micrometers and the absorption edge and showed a definite temperature dependence that consisted of a shift of the absorption edge to shorter wavelengths and an increase in the weak absorption below the absorption edge with increasing temperature. The shift in the absorption edge with temperature is attributed to strongly temperature-dependent multiphonon absorption. While TBC hemispherical transmittance beyond the absorption edge can be predicted by a simple exponential decrease with thickness, below the absorption edge, typical TBC thicknesses are well below the thickness range where a simple exponential decrease in hemispherical transmittance with TBC thickness is expected. [Correction added after online publication August 11, 2009: "edge to a shorter wavelengths" has been updated as edge to shorter wavelengths."

  15. Mass attenuation coefficient of chromium and manganese compounds around absorption edge.

    PubMed

    Sharanabasappa; Kaginelli, S B; Kerur, B R; Anilkumar, S; Hanumaiah, B

    2009-01-01

    The total mass attenuation coefficient for Potassium dichromate, Potassium chromate and Manganese acetate compounds are measured at different photon energies 5.895, 6.404, 6.490, 7.058, 8.041 and 14.390 keV using Fe-55, Co-57 and 241Am source with Copper target, radioactive sources. The photon intensity is analyzed using a high resolution HPGe detector system coupled to MCA under good geometrical arrangement. The obtained values of mass attenuation coefficient values are compared with theoretical values. This study suggests that measured mass attenuation coefficient values at and near absorption edges differ from the theoretical value by about 5-28%.

  16. Calculation of Vibrational and Electronic Excited-State Absorption Spectra of Arsenic-Water Complexes Using Density Functional Theory

    DTIC Science & Technology

    2016-06-03

    Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--16-9681 Calculation of Vibrational and Electronic Excited-State Absorption Spectra...NUMBER OF PAGES 17. LIMITATION OF ABSTRACT Calculation of Vibrational and Electronic Excited-State Absorption Spectra of Arsenic-Water Complexes Using...Unclassified Unlimited Unclassified Unlimited 59 Samuel G. Lambrakos (202) 767-2601 Calculations are presented of vibrational and electronic excited-state

  17. Mean Glandular dose coefficients (DgN) for x-ray spectra used in contemporary breast imaging systems

    PubMed Central

    Nosratieh, Anita; Hernandez, Andrew; Shen, Sam Z.; Yaffe, Martin J.; Seibert, J. Anthony; Boone, John M.

    2015-01-01

    Purpose To develop tables of normalized glandular dose coefficients DgN for a range of anode–filter combinations and tube voltages used in contemporary breast imaging systems. Methods Previously published mono-energetic DgN values were used with various spectra to mathematically compute DgN coefficients. The tungsten anode spectra from TASMICS were used; Molybdenum and Rhodium anode-spectra were generated using MCNPx Monte Carlo code. The spectra were filtered with various thicknesses of Al, Rh, Mo or Cu. An initial HVL calculation was made using the anode and filter material. A range of the HVL values was produced with the addition of small thicknesses of polymethyl methacrylate (PMMA) as a surrogate for the breast compression paddle, to produce a range of HVL values at each tube voltage. Using a spectral weighting method, DgN coefficients for the generated spectra were calculated for breast glandular densities of 0%, 12.5%, 25%, 37.5%, 50% and 100% for a range of compressed breast thicknesses from 3 to 8 cm. Results Eleven tables of normalized glandular dose (DgN) coefficients were produced for the following anode/filter combinations: W + 50 μm Ag, W + 500 μm Al, W + 700 μm Al, W + 200 μm Cu, W + 300 μm Cu, W + 50 μm Rh, Mo + 400 μm Cu, Mo + 30 μm Mo, Mo + 25 μm Rh, Rh + 400 μm Cu and Rh + 25 μm Rh. Where possible, these results were compared to previously published DgN values and were found to be on average less than 2% different than previously reported values. Conclusion Over 200-pages of DgN coefficients were computed for modeled x-ray system spectra that are used in a number of new breast imaging applications. The reported values were found to be in excellent agreement when compared to published values. PMID:26348995

  18. Detection of significant differences between absorption spectra of neutral helium and low temperature photoionized helium plasmas

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bartnik, A.; Wachulak, P.; Fiedorowicz, H.

    2013-11-15

    In this work, spectral investigations of photoionized He plasmas were performed. The photoionized plasmas were created by irradiation of helium stream, with intense pulses from laser-plasma extreme ultraviolet (EUV) source. The EUV source was based on a double-stream Xe/Ne gas-puff target irradiated with 10 ns/10 J Nd:YAG laser pulses. The most intense emission from the source spanned a relatively narrow spectral region below 20 nm, however, spectrally integrated intensity at longer wavelengths was also significant. The EUV radiation was focused onto a gas stream, injected into a vacuum chamber synchronously with the EUV pulse. The long-wavelength part of the EUVmore » radiation was used for backlighting of the photoionized plasmas to obtain absorption spectra. Both emission and absorption spectra in the EUV range were investigated. Significant differences between absorption spectra acquired for neutral helium and low temperature photoionized plasmas were demonstrated for the first time. Strong increase of intensities and spectral widths of absorption lines, together with a red shift of the K-edge, was shown.« less

  19. Single crystal absorption spectra of synthetic Ti, Fe-substituted pyropes

    NASA Astrophysics Data System (ADS)

    Khomenko, V. M.; Langer, K.; Andrut, M.; Koch-Müller, M.; Vishnevsky, A. A.

    1994-11-01

    Synthetic pyrope crystals up to 0.5 mm in diameter, substituted by titanium or by titanium plus iron, were grown under defined conditions of P, T, f_{O_2 } in the presence of water using a piston-cylinder device. The crystals were characterized by X-ray and microprobe techniques. Their single-crystal optical absorption spectra were measured by means of a microscope-spectrometer. Two absorption bands at 16100 and 22300 cm{cm-1} in the spectra of pale-blue Fe-free Ti-bearing pyropes, grown under reduced conditions, were identified as originating from spin-allowed transitions, derived from 2 T 2g → 2 E g of octahedral Ti3+ ions. The splitting value of the excited 2E g state, 6200 cm-1, and the crystal field parameter of Ti3+ in pyrope Δ 0 = 19 200 cm-1 are both in agreement with literature data. In spectra of brown Fe, Ti-bearing garnets, a broad band at 23000 cm-1 was interpreted as a Fe2+[8] → Ti4+[6] charge-transfer band. The spectral position and width of this band agree with those observed for a FeTi charge transfer band in natural garnets. Fe, Ti-containing garnets synthesized at relatively high oxygen fugacity (10-11,0 atm), which permits a fraction of Fe3+ to enter the garnet, show an additional Fe2+[8] → Fe3+[6] charge transfer band at 19800 cm-1.

  20. Measurement of diffusion coefficients important in modeling the absorption rate of carbon dioxide into aqueous N-methyldiethanolamine

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Rowley, R.L.; Adams, M.E.; Marshall, T.L.

    1997-03-01

    Natural gas processors use amine treating processes to remove the acid gases H{sub 2}S and CO{sub 2} from gas streams. Absorption rates of gaseous CO{sub 2} into aqueous N-methyldiethanolamine (MDEA) solutions were measured in a quiescent, inverted-tube diffusiometer by monitoring the rate of pressure drop. The absorption rate was found to be insensitive to the diffusion coefficient of CO{sub 2} in solution but very sensitive to the diffusion rate of bicarbonate and protonated MDEA ions. Evidence also suggested that chemical reaction equilibrium is rapid relative to diffusion. A numerical model was developed on the basis of these observations. The modelmore » was used to regress diffusion coefficients of bicarbonate and protonated amine, which must be equivalent by electroneutrality arguments, from measured absorption rates. Complete modeling of the absorption process also required data for the diffusion coefficient of MDEA in water. These were measured using a Taylor dispersion apparatus. CO{sub 2} absorption rates and diffusion coefficients of bicarbonate and protonated MDEA were obtained at 298.2 K and 318.2 K in solutions containing 20, 35, and 50 mass % MDEA in water.« less

  1. Understanding the features in the ultrafast transient absorption spectra of CdSe quantum dots

    NASA Astrophysics Data System (ADS)

    Zhang, Cheng; Do, Thanh Nhut; Ong, Xuanwei; Chan, Yinthai; Tan, Howe-Siang

    2016-12-01

    We describe a model to explain the features of the ultrafast transient absorption (TA) spectra of CdSe core type quantum dots (QDs). The measured TA spectrum consists of contributions by the ground state bleach (GSB), stimulated emission (SE) and excited state absorption (ESA) processes associated with the three lowest energy transition of the QDs. We model the shapes of the GSB, SE and ESA spectral components after fits to the linear absorption. The spectral positions of the ESA components take into account the biexcitonic binding energy. In order to obtain the correct weightage of the GSB, SE and ESA components to the TA spectrum, we enumerate the set of coherence transfer pathways associated with these processes. From our fits of the experimental TA spectra of 65 Å diameter QDs, biexcitonic binding energies for the three lowest energy transitions are obtained.

  2. Quantitative broadband absorption and scattering spectroscopy in turbid media by combined frequency-domain and steady state methodologies

    DOEpatents

    Tromberg, Bruce J [Irvine, CA; Berger, Andrew J [Rochester, NY; Cerussi, Albert E [Lake Forest, CA; Bevilacqua, Frederic [Costa Mesa, CA; Jakubowski, Dorota [Irvine, CA

    2008-09-23

    A technique for measuring broadband near-infrared absorption spectra of turbid media that uses a combination of frequency-domain and steady-state reflectance methods. Most of the wavelength coverage is provided by a white-light steady-state measurement, whereas the frequency-domain data are acquired at a few selected wavelengths. Coefficients of absorption and reduced scattering derived from the frequency-domain data are used to calibrate the intensity of the steady-state measurements and to determine the reduced scattering coefficient at all wavelengths in the spectral window of interest. The absorption coefficient spectrum is determined by comparing the steady-state reflectance values with the predictions of diffusion theory, wavelength by wavelength. Absorption spectra of a turbid phantom and of human breast tissue in vivo, derived with the combined frequency-domain and steady-state technique, agree well with expected reference values.

  3. Temperature and pressure dependence of dichloro-difluoromethane (CF2C12) absorption coefficients for CO2 waveguide laser radiation

    NASA Technical Reports Server (NTRS)

    Harward, C. N.

    1977-01-01

    Measurements were performed to determine the pressure and temperature dependence of CFM-12 absorption coefficients for CO2 waveguide laser radiation. The absorption coefficients of CFM-12 for CO2 waveguide laser radiation were found to have no spectral structure within small spectral bandwidths around the CO2 waveguide laser lines in the CO2 spectral band for pressures above 20 torr. All of the absorption coefficients for the CO2 laser lines studied are independent of pressure above 100 torr, except for the P(36) laser CO2 spectral band. The absorption coefficients associated with the P(42) line in the same band showed the greatest change with temperature, and it also has the largest value of all the lines studied.

  4. [Study on the effect of solar spectra on the retrieval of atmospheric CO2 concentration using high resolution absorption spectra].

    PubMed

    Hu, Zhen-Hua; Huang, Teng; Wang, Ying-Ping; Ding, Lei; Zheng, Hai-Yang; Fang, Li

    2011-06-01

    Taking solar source as radiation in the near-infrared high-resolution absorption spectrum is widely used in remote sensing of atmospheric parameters. The present paper will take retrieval of the concentration of CO2 for example, and study the effect of solar spectra resolution. Retrieving concentrations of CO2 by using high resolution absorption spectra, a method which uses the program provided by AER to calculate the solar spectra at the top of atmosphere as radiation and combine with the HRATS (high resolution atmospheric transmission simulation) to simulate retrieving concentration of CO2. Numerical simulation shows that the accuracy of solar spectrum is important to retrieval, especially in the hyper-resolution spectral retrieavl, and the error of retrieval concentration has poor linear relation with the resolution of observation, but there is a tendency that the decrease in the resolution requires low resolution of solar spectrum. In order to retrieve the concentration of CO2 of atmosphere, the authors' should take full advantage of high-resolution solar spectrum at the top of atmosphere.

  5. Substituent and Solvent Effects on the Absorption Spectra of Cation-π Complexes of Benzene and Borazine: A Theoretical Study.

    PubMed

    Sarmah, Nabajit; Bhattacharyya, Pradip Kr; Bania, Kusum K

    2014-05-29

    Time-dependent density functional theory (TDDFT) has been used to predict the absorption spectra of cation-π complexes of benzene and borazine. Both polarized continuum model (PCM) and discrete solvation model (DSM) and a combined effect of PCM and DSM on the absorption spectra have been elucidated. With decrease in size of the cation, the π → π* transitions of benzene and borazine are found to undergo blue and red shift, respectively. A number of different substituents (both electron-withdrawing and electron-donating) and a range of solvents (nonpolar to polar) have been considered to understand the effect of substituent and solvents on the absorption spectra of the cation-π complexes of benzene and borazine. Red shift in the absorption spectra of benzene cation-π complexes are observed with both electron-donating groups (EDGs) and electron-withdrawing groups (EWGs). The same trend has not been observed in the case of substituted borazine cation-π complexes. The wavelength of the electronic transitions corresponding to cation-π complexes correlates well with the Hammet constants (σ p and σ m ). This correlation indicates that the shifting of spectral lines of the cation-π complexes on substitution is due to both resonance and inductive effect. On incorporation of solvent phases, significant red or blue shifting in the absorption spectra of the complexes has been observed. Kamlet-Taft multiparametric equation has been used to explain the effect of solvent on the absorption spectra of complexes. Polarity and polarizability are observed to play an important role in the solvatochromism of the cation-π complexes.

  6. Laboratory absorption spectra of molecules at interstellar cloud temperatures - First measurements on CO at about 97 nm

    NASA Technical Reports Server (NTRS)

    Smith, P. L.; Yoshino, K.; Stark, G.; Ito, K.; Stevens, M. H.

    1991-01-01

    In the 91-100 nm spectral region, where absorption of photons by interstellar CO usually leads to dissociation, laboratory spectra obtained at 295 K show that most CO bands are both overlapped and perturbed. Reliable band oscillator strengths cannot be extracted from such spectra. As a consequence, synthetic extreme-ultraviolet absorption spectra for CO at the low temperatures that prevail in interstellar clouds are uncertain. A supersonic expansion technique has been used to cool CO to 30 K and three bands in the 97-nm region have been studied with high spectral resolution. The measured spectrum at 30 K is in reasonable agreement with some published modeled spectra, but the ratios of integrated cross sections are somewhat different from those determined from low resolution spectra obtained at 295 K, in which the bands are blended.

  7. Experiment to Determine the Absorption Coefficient of Gamma Rays as a Function of Energy.

    ERIC Educational Resources Information Center

    Ouseph, P. J.; And Others

    1982-01-01

    Simpler than x-ray diffractometer experiments, the experiment described illustrates certain concepts regarding the interaction of electromagnetic rays with matter such as the exponential decrease in the intensity with absorber thickness, variation of the coefficient of absorption with energy, and the effect of the K-absorption edge on the…

  8. X-ray absorption spectra: Graphene, h-BN, and their alloy

    NASA Astrophysics Data System (ADS)

    Bhowmick, Somnath; Rusz, Jan; Eriksson, Olle

    2013-04-01

    Using first-principles density functional theory calculations, in conjunction with the Mahan-Nozières-de Dominicis theory, we calculate the x-ray absorption spectra of the alloys of graphene and monolayer hexagonal boron nitride on a Ni (111) substrate. The chemical neighborhood of the constituent atoms (B, C, and N) inside the alloy differs from that of the parent phases. In a systematic way, we capture the change in the K-edge spectral shape, depending on the chemical neighborhood of B, C, and N. Our work also reiterates the importance of the dynamical core-hole screening for a proper description of the x-ray absorption process in sp2-bonded layered materials.

  9. Plant phenolics and absorption features in vegetation reflectance spectra near 1.66 μm

    USGS Publications Warehouse

    Kokaly, Raymond F.; Skidmore, Andrew K

    2015-01-01

    Past laboratory and field studies have quantified phenolic substances in vegetative matter from reflectance measurements for understanding plant response to herbivores and insect predation. Past remote sensing studies on phenolics have evaluated crop quality and vegetation patterns caused by bedrock geology and associated variations in soil geochemistry. We examined spectra of pure phenolic compounds, common plant biochemical constituents, dry leaves, fresh leaves, and plant canopies for direct evidence of absorption features attributable to plant phenolics. Using spectral feature analysis with continuum removal, we observed that a narrow feature at 1.66 μm is persistent in spectra of manzanita, sumac, red maple, sugar maple, tea, and other species. This feature was consistent with absorption caused by aromatic C-H bonds in the chemical structure of phenolic compounds and non-hydroxylated aromatics. Because of overlapping absorption by water, the feature was weaker in fresh leaf and canopy spectra compared to dry leaf measurements. Simple linear regressions of feature depth and feature area with polyphenol concentration in tea resulted in high correlations and low errors (% phenol by dry weight) at the dry leaf (r2 = 0.95, RMSE = 1.0%, n = 56), fresh leaf (r2 = 0.79, RMSE = 2.1%, n = 56), and canopy (r2 = 0.78, RMSE = 1.0%, n = 13) levels of measurement. Spectra of leaves, needles, and canopies of big sagebrush and evergreens exhibited a weak absorption feature centered near 1.63 μm, short ward of the phenolic compounds, possibly consistent with terpenes. This study demonstrates that subtle variation in vegetation spectra in the shortwave infrared can directly indicate biochemical constituents and be used to quantify them. Phenolics are of lesser abundance compared to the major plant constituents but, nonetheless, have important plant functions and ecological significance. Additional research is needed to advance our understanding of the

  10. Plant phenolics and absorption features in vegetation reflectance spectra near 1.66 μm

    NASA Astrophysics Data System (ADS)

    Kokaly, Raymond F.; Skidmore, Andrew K.

    2015-12-01

    Past laboratory and field studies have quantified phenolic substances in vegetative matter from reflectance measurements for understanding plant response to herbivores and insect predation. Past remote sensing studies on phenolics have evaluated crop quality and vegetation patterns caused by bedrock geology and associated variations in soil geochemistry. We examined spectra of pure phenolic compounds, common plant biochemical constituents, dry leaves, fresh leaves, and plant canopies for direct evidence of absorption features attributable to plant phenolics. Using spectral feature analysis with continuum removal, we observed that a narrow feature at 1.66 μm is persistent in spectra of manzanita, sumac, red maple, sugar maple, tea, and other species. This feature was consistent with absorption caused by aromatic Csbnd H bonds in the chemical structure of phenolic compounds and non-hydroxylated aromatics. Because of overlapping absorption by water, the feature was weaker in fresh leaf and canopy spectra compared to dry leaf measurements. Simple linear regressions of feature depth and feature area with polyphenol concentration in tea resulted in high correlations and low errors (% phenol by dry weight) at the dry leaf (r2 = 0.95, RMSE = 1.0%, n = 56), fresh leaf (r2 = 0.79, RMSE = 2.1%, n = 56), and canopy (r2 = 0.78, RMSE = 1.0%, n = 13) levels of measurement. Spectra of leaves, needles, and canopies of big sagebrush and evergreens exhibited a weak absorption feature centered near 1.63 μm, short ward of the phenolic compounds, possibly consistent with terpenes. This study demonstrates that subtle variation in vegetation spectra in the shortwave infrared can directly indicate biochemical constituents and be used to quantify them. Phenolics are of lesser abundance compared to the major plant constituents but, nonetheless, have important plant functions and ecological significance. Additional research is needed to advance our understanding of the spectral influences

  11. Universal formulation of excitonic linear absorption spectra in all semiconductor microstructures

    NASA Astrophysics Data System (ADS)

    Lefebvre, Pierre; Christol, Philippe; Mathieu, Henry

    1995-01-01

    We present a generalization of the well-known exciton absorption calculations of Elliott [Phys. Rev. 108, 1384 (1957)], in the 3-dimensional case, and of Shinada and Sugano [J. Phys. Soc. Japan 21, 1936 (1966)], for 2-dimensional media: We calculate the optical absorption spectra of bound and unbound exciton states, by using a metric space with a noninteger dimension α (1 < α), obtaining almost exactly the same theoretical lineshapes as those resulting from accurate but costly numerical approaches [Chuang et al. Phys. Rev. B, 43, 1500 (1991); Benner and Haug, Phys. Rev. B 47, 15750 (1993)].

  12. The Fundamental Quadrupole Band of (14)N2: Line Positions from High-Resolution Stratospheric Solar Absorption Spectra

    NASA Technical Reports Server (NTRS)

    Rinsland, C. P.; Zander, R.; Goldman, A.; Murcray, F. J.; Murcray, D. G.; Grunson, M. R.; Farmer, C. B.

    1991-01-01

    The purpose of this note is to report accurate measurements of the positions of O- and S-branch lines of the (1-0) vibration-rotation quadrupole band of molecular nitrogen ((14)N2) and improved Dunham coefficients derived from a simultaneous least-squares analysis of these measurements and selected infrared and far infrared data taken from the literature. The new measurements have been derived from stratospheric solar occultation spectra recorded with Fourier transform spectrometer (FTS) instruments operated at unapodized spectral resolutions of 0.002 and 0.01 /cm. The motivation for the present investigation is the need for improved N2 line parameters for use in IR atmospheric remote sensing investigations. The S branch of the N2 (1-0) quadrupole band is ideal for calibrating the line-of-sight airmasses of atmospheric spectra since the strongest lines are well placed in an atmospheric window, their absorption is relatively insensitive to temperature and is moderately strong (typical line center depths of 10 to 50% in high-resolution ground-based solar spectra and in lower stratospheric solar occultation spectra), and the volume mixing ratio of nitrogen is constant in the atmosphere and well known. However, a recent investigation has'shown the need to improve the accuracies of the N2 fine positions, intensities, air-broadened half-widths, and their temperature dependences to fully exploit this calibration capability (1). The present investigation addresses the problem of improving the accuracy of the N2 line positions.

  13. A wavelet analysis for the X-ray absorption spectra of molecules

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Penfold, T. J.; Ecole polytechnique Federale de Lausanne, Laboratoire de chimie et biochimie computationnelles, ISIC, FSB-BCH, CH-1015 Lausanne; SwissFEL, Paul Scherrer Inst, CH-5232 Villigen

    2013-01-07

    We present a Wavelet transform analysis for the X-ray absorption spectra of molecules. In contrast to the traditionally used Fourier transform approach, this analysis yields a 2D correlation plot in both R- and k-space. As a consequence, it is possible to distinguish between different scattering pathways at the same distance from the absorbing atom and between the contributions of single and multiple scattering events, making an unambiguous assignment of the fine structure oscillations for complex systems possible. We apply this to two previously studied transition metal complexes, namely iron hexacyanide in both its ferric and ferrous form, and a rheniummore » diimine complex, [ReX(CO){sub 3}(bpy)], where X = Br, Cl, or ethyl pyridine (Etpy). Our results demonstrate the potential advantages of using this approach and they highlight the importance of multiple scattering, and specifically the focusing phenomenon to the extended X-ray absorption fine structure (EXAFS) spectra of these complexes. We also shed light on the low sensitivity of the EXAFS spectrum to the Re-X scattering pathway.« less

  14. First-Principles Predictions of Near-Edge X-ray Absorption Fine Structure Spectra of Semiconducting Polymers

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Su, Gregory M.; Patel, Shrayesh N.; Pemmaraju, C. D.

    The electronic structure and molecular orientation of semiconducting polymers in thin films determine their ability to transport charge. Methods based on near-edge X-ray absorption fine structure (NEXAFS) spectroscopy can be used to probe both the electronic structure and microstructure of semiconducting polymers in both crystalline and amorphous films. However, it can be challenging to interpret NEXAFS spectra on the basis of experimental data alone, and accurate, predictive calculations are needed to complement experiments. Here, we show that first-principles density functional theory (DFT) can be used to model NEXAFS spectra of semiconducting polymers and to identify the nature of transitions inmore » complicated NEXAFS spectra. Core-level X-ray absorption spectra of a set of semiconducting polymers were calculated using the excited electron and core-hole (XCH) approach based on constrained-occupancy DFT. A comparison of calculations on model oligomers and periodic structures with experimental data revealed the requirements for accurate prediction of NEXAFS spectra of both conjugated homopolymers and donor–acceptor polymers. The NEXAFS spectra predicted by the XCH approach were applied to study molecular orientation in donor–acceptor polymers using experimental spectra and revealed the complexity of using carbon edge spectra in systems with large monomeric units. The XCH approach has sufficient accuracy in predicting experimental NEXAFS spectra of polymers that it should be considered for design and analysis of measurements using soft X-ray techniques, such as resonant soft X-ray scattering and scanning transmission X-ray microscopy.« less

  15. UV laser long-path absorption spectroscopy

    NASA Technical Reports Server (NTRS)

    Dorn, Hans-Peter; Brauers, Theo; Neuroth, Rudolf

    1994-01-01

    Long path Differential Optical Absorption Spectroscopy (DOAS) using a picosecond UV laser as a light source was developed in our institute. Tropospheric OH radicals are measured by their rotational absorption lines around 308 nm. The spectra are obtained using a high resolution spectrograph. The detection system has been improved over the formerly used optomechanical scanning device by application of a photodiode array which increased the observed spectral range by a factor of 6 and which utilizes the light much more effectively leading to a considerable reduction of the measurement time. This technique provides direct measurements of OH because the signal is given by the product of the absorption coefficient and the OH concentration along the light path according to Lambert-Beers law. No calibration is needed. Since the integrated absorption coefficient is well known the accuracy of the measurement essentially depends on the extent to which the OH absorption pattern can be detected in the spectra. No interference by self generated OH radicals in the detection lightpath has been observed. The large bandwidth (greater than 0.15 nm) and the high spectral resolution (1.5 pm) allows absolute determination of interferences by other trace gas absorptions. The measurement error is directly accessible from the absorption-signal to baseline-noise ratio in the spectra. The applicability of the method strongly depends on visibility. Elevated concentrations of aerosols lead to considerable attenuation of the laser light which reduces the S/N-ratio. In the moderately polluted air of Julich, where we performed a number of OH measurement spectra. In addition absorption features of unidentified species were frequently detected. A quantitative deconvolution even of the known species is not easy to achieve and can leave residual structures in the spectra. Thus interferences usually increase the noise and deteriorate the OH detection sensitivity. Using diode arrays for sensitive

  16. On the sub-band gap optical absorption in heat treated cadmium sulphide thin film deposited on glass by chemical bath deposition technique

    NASA Astrophysics Data System (ADS)

    Chattopadhyay, P.; Karim, B.; Guha Roy, S.

    2013-12-01

    The sub-band gap optical absorption in chemical bath deposited cadmium sulphide thin films annealed at different temperatures has been critically analyzed with special reference to Urbach relation. It has been found that the absorption co-efficient of the material in the sub-band gap region is nearly constant up to a certain critical value of the photon energy. However, as the photon energy exceeds the critical value, the absorption coefficient increases exponentially indicating the dominance of Urbach rule. The absorption coefficients in the constant absorption region and the Urbach region have been found to be sensitive to annealing temperature. A critical examination of the temperature dependence of the absorption coefficient indicates two different kinds of optical transitions to be operative in the sub-band gap region. After a careful analyses of SEM images, energy dispersive x-ray spectra, and the dc current-voltage characteristics, we conclude that the absorption spectra in the sub-band gap domain is possibly associated with optical transition processes involving deep levels and the grain boundary states of the material.

  17. Electronic absorption spectrum of copper-doped magnesium potassium phosphate hexahydrate

    NASA Astrophysics Data System (ADS)

    Rao, S. N.; Sivaprasad, P.; Reddy, Y. P.; Rao, P. S.

    1992-04-01

    The optical absorption and EPR spectra of magnesium potassium phosphate hexahydrate (MPPH) doped with copper ions are recorded both at room and liquid nitrogen temperatures. The spectrum is characteristic of Cu2+ in tetragonal symmetry. The spin-Hamiltonian parameters and molecular orbital coefficients are evaluated. A correlation between EPR and optical absorption studies is drawn.

  18. The Mid-Infrared Absorption Spectra of Neutral PAHs in Dense Interstellar Clouds

    NASA Technical Reports Server (NTRS)

    Bernstein, M. P.; Sandford, S. A.; Allamandola, L. J.

    2005-01-01

    Polycyclic aromatic hydrocarbons (PAHs) are common throughout the universe and are expected to be present in dense interstellar clouds. In these environments, some P.4Hs may be present in the gas phase, but most should be frozen into ice mantles or adsorbed onto dust grains and their spectral features are expected to be seen in absorption. Here we extend our previous work on the infrared spectral properties of the small PAH naphthalene (C10H8) in several media to include the full mid-infrared laboratory spectra of 11 other PAHs and related aromatic species frozen in H2O ices. These include the molecules 1,2-dihydronaphthalene, anthracene, 9,1O-dihydroanthracene, phenanthrene, pyrene, benzo[e]pyrene, perylene, benzo(k)fluoranthene, pentacene, benzo[ghi]perylene, and coronene. These results demonstrate that PAHs and related molecules, as a class, show the same spectral behaviors as naphthalene when incorporated into H2O-rich matrices. When compared to the spectra of these same molecules isolated in inert matrices (e.g., Ar or N2), the absorption bands produced when they are frozen in H2O matrices are broader (factors of 3-10), show small position shifts in either direction (usually < 4/cm, always < 10/cm), and show variable changes in relative band strengths (typically factors of 1-3). There is no evidence of systematic increases or decreases in the absolute strengths of the bands of these molecules when they are incorporated in H2O matrices. In H2O-rich ices, their absorption bands are relatively insensitive to concentration over the range of 10 < H2O/PAH < 200): The absorption bands of these molecules are also insensitive to temperature over the 10 K < T < 125 K range, although the spectra can show dramatic changes as the ices are warmed through the temperature range in which amorphous H2O ice converts to its cubic and hexagonal crystalline forms (T > 125 Kj. Given the small observed band shifts cause by H2O, the current database of spectra from Ar matrix

  19. Mean glandular dose coefficients (D(g)N) for x-ray spectra used in contemporary breast imaging systems.

    PubMed

    Nosratieh, Anita; Hernandez, Andrew; Shen, Sam Z; Yaffe, Martin J; Seibert, J Anthony; Boone, John M

    2015-09-21

    To develop tables of normalized glandular dose coefficients D(g)N for a range of anode-filter combinations and tube voltages used in contemporary breast imaging systems. Previously published mono-energetic D(g)N values were used with various spectra to mathematically compute D(g)N coefficients. The tungsten anode spectra from TASMICS were used; molybdenum and rhodium anode-spectra were generated using MCNPX Monte Carlo code. The spectra were filtered with various thicknesses of Al, Rh, Mo or Cu. An initial half value layer (HVL) calculation was made using the anode and filter material. A range of the HVL values was produced with the addition of small thicknesses of polymethyl methacrylate (PMMA) as a surrogate for the breast compression paddle, to produce a range of HVL values at each tube voltage. Using a spectral weighting method, D(g)N coefficients for the generated spectra were calculated for breast glandular densities of 0%, 12.5%, 25%, 37.5%, 50% and 100% for a range of compressed breast thicknesses from 3 to 8 cm. Eleven tables of normalized glandular dose (D(g)N) coefficients were produced for the following anode/filter combinations: W + 50 μm Ag, W + 500 μm Al, W + 700 μm Al, W + 200 μm Cu, W + 300 μm Cu, W + 50 μm Rh, Mo + 400 μm Cu, Mo + 30 μm Mo, Mo + 25 μm Rh, Rh + 400 μm Cu and Rh + 25 μm Rh. Where possible, these results were compared to previously published D(g)N values and were found to be on average less than 2% different than previously reported values.Over 200 pages of D(g)N coefficients were computed for modeled x-ray system spectra that are used in a number of new breast imaging applications. The reported values were found to be in excellent agreement when compared to published values.

  20. Studies of absorption coefficient cum electro-optic performance of polymer dispersed liquid crystal doped with CNT and dichroic dye

    NASA Astrophysics Data System (ADS)

    Sharma, Vandna; Kumar, Pankaj

    2017-11-01

    Absorption coefficient of doped polymer dispersed liquid crystals (PDLCs) is a critical factor for their device performance and depends on dopants parameters like solubility, order parameter and extinction coefficients, in addition to configuration and orientation of the droplets. In this study, a fixed amount (0.125% wt/wt) of multiwall carbon nanotubes (CNTs) and orange azo dichroic dye was doped in PDLC and measured the OFF state absorption coefficient. Considering the theory based on Beer's law and followed by extinction coefficients of CNT and dye, the OFF state transmission for dye doped PDLC was found lower compared to CNT doped PDLC. As a result, absorption coefficient for dye doped PDLC was higher and resulted in the superior contrast ratio. The experimental results were found be consistent with the theoretical results.

  1. Temperature and salinity correction coefficients for light absorption by water in the visible to infrared spectral region.

    PubMed

    Röttgers, Rüdiger; McKee, David; Utschig, Christian

    2014-10-20

    The light absorption coefficient of water is dependent on temperature and concentration of ions, i.e. the salinity in seawater. Accurate knowledge of the water absorption coefficient, a, and/or its temperature and salinity correction coefficients, Ψ(T) and Ψ(S), respectively, is essential for a wide range of optical applications. Values are available from published data only at specific narrow wavelength ranges or at single wavelengths in the visible and infrared regions. Ψ(T) and Ψ(S) were therefore spectrophotometrically measured throughout the visible, near, and short wavelength infrared spectral region (400 to ~2700 nm). Additionally, they were derived from more precise measurements with a point-source integrating-cavity absorption meter (PSICAM) for 400 to 700 nm. When combined with earlier measurements from the literature in the range of 2600 - 14000 nm (wavenumber: 3800 - 700 cm(-1)), the coefficients are provided for 400 to 14000 nm (wavenumber: 25000 to 700 cm(-1)).

  2. Multi-Photon Absorption Spectra: A Comparison Between Transmittance Change and Fluorescence Methods

    DTIC Science & Technology

    2015-05-21

    AFRL-OSR-VA-TR-2015-0134 multi-photon absorption spectra Cleber Mendonca INSTITUTO DE FISICA DE SAO CARLOS Final Report 05/21/2015 DISTRIBUTION A...5f. WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) Instituto de Fisica de Sao Carlos - Universidade de Sao Paulo Av

  3. In vivo imaging of scattering and absorption properties of exposed brain using a digital red-green-blue camera

    NASA Astrophysics Data System (ADS)

    Nishidate, Izumi; Yoshida, Keiichiro; Kawauchi, Satoko; Sato, Shunichi; Sato, Manabu

    2014-03-01

    We investigate a method to estimate the spectral images of reduced scattering coefficients and the absorption coefficients of in vivo exposed brain tissues in the range from visible to near-infrared wavelength (500-760 nm) based on diffuse reflectance spectroscopy using a digital RGB camera. In the proposed method, the multi-spectral reflectance images of in vivo exposed brain are reconstructed from the digital red, green blue images using the Wiener estimation algorithm. The Monte Carlo simulation-based multiple regression analysis for the absorbance spectra is then used to specify the absorption and scattering parameters of brain tissue. In this analysis, the concentration of oxygenated hemoglobin and that of deoxygenated hemoglobin are estimated as the absorption parameters whereas the scattering amplitude a and the scattering power b in the expression of μs'=aλ-b as the scattering parameters, respectively. The spectra of absorption and reduced scattering coefficients are reconstructed from the absorption and scattering parameters, and finally, the spectral images of absorption and reduced scattering coefficients are estimated. The estimated images of absorption coefficients were dominated by the spectral characteristics of hemoglobin. The estimated spectral images of reduced scattering coefficients showed a broad scattering spectrum, exhibiting larger magnitude at shorter wavelengths, corresponding to the typical spectrum of brain tissue published in the literature. In vivo experiments with exposed brain of rats during CSD confirmed the possibility of the method to evaluate both hemodynamics and changes in tissue morphology due to electrical depolarization.

  4. Laboratory Measurements of Mass Specific Absorption Spectra for Suites of Black Carbon-like, Biomass Burning and Mineral Dust Aerosols

    NASA Astrophysics Data System (ADS)

    Radney, J.; Zangmeister, C.

    2017-12-01

    Light-absorbing atmospheric aerosols can be grouped into three categories: black carbon (BC), brown carbon (BrC) or mineral dust (MD). In many cases, the absorption of these species is best quantified using a mass-specific absorption cross section (MAC) since the particles are in the Rayleigh regime (BC) or optically thin (BrC and MD); notably, MAC values are both traceable to the SI and transferrable between photoacoustic spectroscopy and filter-based absorption measurements. Here, we present laboratory measurements of MAC for all three light-absorbing aerosol classes. Particles were size- and mass-selected using a differential mobility analyzer and aerosol particle mass analyzer, respectively, with absorption coefficients (αabs) and number concentrations (N) being measured by a broadband photoacoustic spectrometer and condensation particle counter, respectively. This suite of instrumentation allows for direct quantification of MAC from the measured parameters (MAC = αabs/Nmp). Further, the measurements contained > 8 data points spanning λ = 405 nm to 840 nm allowing for spectral curvatures (i.e. the Absorption Angstrom Exponent or AAE) to be fit from many data points versus the more common 2-point interpolations. For the carbonaceous, BC-like aerosols - five samples generated from flames, spark discharge soot (i.e. fullerene soot), graphene, reduced graphene oxide (rGO), and fullerene (C60) - we found: 1) measured MAC ranged between 2.4 m2 g-1 and 8.6 m2 g-1 at λ = 550 nm, 2) most AAEs ranged between 0.5 and 1.3; C60 AAE was 7.5 ± 0.9 and 3) MAC spectra were dependent on fuel type and formation conditions. For BrC particles generated from smoldering combustion of 3 hardwood (Oak, Hickory and Mesquite) and 3 softwood species (Western redcedar, Blue spruce and Baldcypress), we found: 1) median MAC values ranged from 1.4 x 10-2 m2 g-1 to 7.9 x 10-2 m2 g-1 at λ = 550 nm, 2) AAE values ranged between 3.5 and 6.2, and 3) Oak, Western redcedar and Blue spruce

  5. Optical Absorption Spectra of Nuclear Filters Modified by Deposition of Silver Nano- and Microparticles

    NASA Astrophysics Data System (ADS)

    Smolyanskii, A. S.; Kozlova, N. V.; Zheltova, A. V.; Aksyutina, A. S.; Shvedov, A. S.; Lakeev, S. G.

    2015-07-01

    Light scattering and interference patterns are studied in the optical absorption spectra of nuclear filters based on polyethylene terephthalate fi lms modifi ed by dry aerosol deposition of silver nano- and microparticles. Surface plasmon polaritons and localized plasmons formed by the passage of light through porous silver films are found to have an effect on the diffraction and interference modes. The thickness of silver nano- and microparticle coatings on the surface of the nuclear fi lters was determined from the shift in the interference patterns in the optical absorption spectra of the modified nuclear filters relative to the original nuclear filters. A correlation was found between the estimated coating thickness and the average surface roughness of the nuclear filters modified by layers of silver nano- and microparticles.

  6. Simulations of absorption spectra of conjugated oligomers: role of planar conformation and aggregation in condensed phase

    NASA Astrophysics Data System (ADS)

    Yuan, Xiang-Ai; Wen, Jin; Zheng, Dong; Ma, Jing

    2018-04-01

    This Review highlights the structure/property relationship underlying the morphology modulation through various factors towards the exploration of light-absorbing materials for efficient utilisation of solar power. Theoretical study using a combination of molecular dynamics imulations and the time-dependent density functional theory demonstrated that the planarity plays an important role in tuning spectral properties of oligomer aggregates. The aggregation-induced blue-shift in absorption spectra of oligothiophenes and the red-shift for oligofluorenols were rationalised in a unified way from the reduced (and increased) content of planar conformations in molecular aggregates. The planarity versus non-planarity of oligomers can be modulated by introduction of alkyl side chain or steric bulky substituents. The substitution with various groups in the ortho-position of azobenzene leads to the distorted backbone, breaking symmetry, and hence the red-shift in spectra, expanding the application in biological systems with visible light absorption. The donor-acceptor substituent groups in conjugated oligomers can increase the degree of planarity, electron delocalisation and polarisation, and charge separation, giving rise to the red-shift in spectra and enhancement in polarisability and charge mobility for device applications. The solvent dependent and pH-sensitive properties and intramolecular hydrogen bonds also caused the shift of absorption spectra with the appearance of planar conformers.

  7. Near-edge X-ray absorption spectra for metallic Cu and Mn

    NASA Astrophysics Data System (ADS)

    Greaves, G. N.; Durham, P. J.; Diakun, G.; Quinn, P.

    1981-11-01

    The measurement of X-ray absorption fine structure of metals- both in the extended region (EXAFS) as well as in the near edge region (XANES)-has been widely discussed (see refs 1-6 for Cu and refs 7-9 for Mn). The recent availability of intense X-ray fluxes from storage rings has usually been exploited for EXAFS leaving the XANES often with poorer resolution than earlier work performed on conventional sources (for example, compare the near edge structure for copper in ref. 1 with refs 3 or 6). In addition, whilst the theory and analysis of EXAFS is relatively well-established2,10, a theory for the strong scattering regime near to the absorption edge has only recently been developed11. We report here the first high resolution XANES spectra for Cu and Mn which were performed at the SRS storage ring at Daresbury. Although both metals have close-packed structures consisting of atoms of similar size their local atomic structure is different in detail. Significant differences are found in their respective XANES reflecting the senstivity of this region of the X-ray absorption fine structure to the local atomic structure. Spectra for the two metals have been analysed using the new multiple scattering formalism. This is a real space calculation and unlike a conventional band structure approach it does not require structural periodicity but works from the local arrangement of atoms.

  8. Sustainable p-type copper selenide solar material with ultra-large absorption coefficient

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chen, Erica M.; Williams, Logan; Olvera, Alan

    We report the synthesis of CTSe, a p-type titanium copper selenide semiconductor. Its band gap (1.15 eV) and its ultra-large absorption coefficient (10 5 cm −1 ) in the entire visible range make it a promising Earth-abundant solar absorber material.

  9. Sustainable p-type copper selenide solar material with ultra-large absorption coefficient

    DOE PAGES

    Chen, Erica M.; Williams, Logan; Olvera, Alan; ...

    2018-01-01

    We report the synthesis of CTSe, a p-type titanium copper selenide semiconductor. Its band gap (1.15 eV) and its ultra-large absorption coefficient (10 5 cm −1 ) in the entire visible range make it a promising Earth-abundant solar absorber material.

  10. Laser-based measurements of pressure broadening and pressure shift coefficients of combustion-relevant absorption lines in the near-infrared region

    NASA Astrophysics Data System (ADS)

    Bürkle, Sebastian; Walter, Nicole; Wagner, Steven

    2018-06-01

    A set of high-resolution absorption spectrometers based on TDLAS was used to determine the impact of combustion-relevant gases on the pressure shift and broadening of H2O, CO2, C2H2 and CH4 absorption lines in the near-infrared spectral region. In particular, self- and foreign-broadening coefficients induced by CO2, N2, O2, air, C2H2 and CH4 were measured. The absorption lines under investigation are suitable to measure the respective species in typical combustion environments via laser absorption spectroscopy. Additionally, species-dependent self- and foreign-induced pressure shift coefficients were measured and compared to the literature. The experiments were performed in two specifically designed absorption cells over a wide pressure range from 5 to 180 kPa. Different sources of uncertainty were identified and quantified to achieve relative measurement uncertainties of 0.7-1.5% for broadening coefficients and 0.6-1.6% for pressure shift coefficients.

  11. Calculation of conversion coefficients for clinical photon spectra using the MCNP code.

    PubMed

    Lima, M A F; Silva, A X; Crispim, V R

    2004-01-01

    In this work, the MCNP4B code has been employed to calculate conversion coefficients from air kerma to the ambient dose equivalent, H*(10)/Ka, for monoenergetic photon energies from 10 keV to 50 MeV, assuming the kerma approximation. Also estimated are the H*(10)/Ka for photon beams produced by linear accelerators, such as Clinac-4 and Clinac-2500, after transmission through primary barriers of radiotherapy treatment rooms. The results for the conversion coefficients for monoenergetic photon energies, with statistical uncertainty <2%, are compared with those in ICRP publication 74 and good agreements were obtained. The conversion coefficients calculated for real clinic spectra transmitted through walls of concrete of 1, 1.5 and 2 m thick, are in the range of 1.06-1.12 Sv Gy(-1).

  12. Quantification of the dynamic changes in the absorption coefficient of liquid water at erbium:YAG and carbon dioxide laser wavelengths

    NASA Astrophysics Data System (ADS)

    Shori, Ramesh K.

    The interaction of high-intensity, short-pulsed radiation with liquid water results in dynamic changes in the optical absorption coefficient of water. These changes and their implications, as related to mid-infrared laser ablation of tissue, were not investigated until the late 1980's and early 1990's. Classical models of absorption and heating do not explain the dynamic, non-linear changes in water. The objective of the present work was to quantify the dynamic changes in the absorption coefficient of liquid water as a function of incident energy at three clinically relevant infrared wavelengths (λ = 2.94, 9.6, 10.6 μm). To investigate the changes in the absorption spectrum of water in the 3-μm band, a stable, high-energy Q- switched Er:YAG laser emitting 2.94-μm radiation in a near-perfect TEMoo spatial beam profile was developed. Key to the development of this laser was careful attention to the gain medium, optical pump system, system optics, and the thermal system. The final system design was capable of emitting 110 mJ/pulse at of 2-4 Hz with a lamp lifetime exceeding 12 million pulses The laser was used in two sets of experiments in order to quantify the above changes. First, the laser was used to measure the velocity of the shock front produced by vaporizing a gelatin-based tissue phantom. The measured shock velocity was related to the optical energy absorbed by the tissue phantom and the absorption coefficient, based on the pressure relationships derived using a 1-D piston model for an expanding plume. The shock front velocity measurements indicate that the absorption coefficient is constant for incident fluences less than 20 J/cm2, a result consistent with transmission data. For higher fluences, the data indicate a decrease in the absorption coefficient, which is again consistent with transmission data. Quantification of the absorption coefficient can, however, not be made without violating assumptions that form the basis for the 1-D piston model. Second

  13. FTIR spectrometer with 30 m optical cell and its applications to the sensitive measurements of selective and nonselective absorption spectra

    NASA Astrophysics Data System (ADS)

    Ponomarev, Yu. N.; Solodov, A. A.; Solodov, A. M.; Petrova, T. M.; Naumenko, O. V.

    2016-07-01

    A description of the spectroscopic complex at V.E. Zuev Institute of Atmospheric Optics, SB RAS, operating in a wide spectral range with high threshold sensitivity to the absorption coefficient is presented. Measurements of weak lines and nonselective spectra of CO2 and H2O were performed based on the built setup. As new application of this setup, positions and intensities of 152 weak lines of H2O were measured between 2400 and 2560 cm-1 with threshold sensitivity of 8.6×10-10 cm-1, and compared with available calculated and experimental data. Essential deviations between the new intensity measurements and calculated data accepted in HITRAN 2012 and GEISA 2015 forthcoming release are found.

  14. Mass energy-absorption coefficients and average atomic energy-absorption cross-sections for amino acids in the energy range 0.122-1.330 MeV

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    More, Chaitali V., E-mail: chaitalimore89@gmail.com; Lokhande, Rajkumar M.; Pawar, Pravina P., E-mail: pravinapawar4@gmail.com

    Mass attenuation coefficients of amino acids such as n-acetyl-l-tryptophan, n-acetyl-l-tyrosine and d-tryptophan were measured in the energy range 0.122-1.330 MeV. NaI (Tl) scintillation detection system was used to detect gamma rays with a resolution of 8.2% at 0.662 MeV. The measured attenuation coefficient values were then used to determine the mass energy-absorption coefficients (σ{sub a,en}) and average atomic energy-absorption cross sections (μ{sub en}/ρ) of the amino acids. Theoretical values were calculated based on XCOM data. Theoretical and experimental values are found to be in good agreement.

  15. Excitation Dynamics in Phycoerythrin 545: Modeling of Steady-State Spectra and Transient Absorption with Modified Redfield Theory

    PubMed Central

    Novoderezhkin, Vladimir I.; Doust, Alexander B.; Curutchet, Carles; Scholes, Gregory D.; van Grondelle, Rienk

    2010-01-01

    Abstract We model the spectra and excitation dynamics in the phycobiliprotein antenna complex PE545 isolated from the unicellular photosynthetic cryptophyte algae Rhodomonas CS24. The excitonic couplings between the eight bilins are calculated using the CIS/6-31G method. The site energies are extracted from a simultaneous fit of the absorption, circular dichroism, fluorescence, and excitation anisotropy spectra together with the transient absorption kinetics using the modified Redfield approach. Quantitative fit of the data enables us to assign the eight exciton components of the spectra and build up the energy transfer picture including pathways and timescales of energy relaxation, thus allowing a visualization of excitation dynamics within the complex. PMID:20643051

  16. Measurements of Lorentz air-broadening coefficients and relative intensities in the H2O-16 pure rotational and nu2 bands from long horizontal path atmospheric spectra

    NASA Technical Reports Server (NTRS)

    Rinsland, Curtis P.; Smith, Mary Ann H.; Goldman, Aaron; Malathy Devi, V.

    1991-01-01

    Lorentz air-broadening coefficients and relative intensities have been measured for forty-three lines in the pure rotational band and twenty lines in the nu2 band of H2O-16 between 800 and 1150/cm. The results were derived from analysis of nine 0.017/cm-resolution atmospheric absorption spectra recorded over horizontal paths of 0.5-1.5 km with the McMath Fourier transform spectrometer and main solar telescope operated on Kitt Peak by the National Solar Observatory. A nonlinear least-squares spectral fitting technique was used in the spectral analysis. The results are compared with previous measurements and calculations. In most cases, the measured pressure-broadening coefficients and intensities are significantly different from the values in the 1986 HITRAN line parameters compilation.

  17. Equilibrium Structures and Absorption Spectra for SixOy-nH2O Molecular Clusters using Density Functional Theory

    DTIC Science & Technology

    2017-05-04

    Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--17-9723 Equilibrium Structures and Absorption Spectra for SixOy-nH2O Molecular...Absorption Spectra for SixOy-nH2O Molecular Clusters using Density Functional Theory L. Huang, S.G. Lambrakos, and L. Massa1 Naval Research Laboratory, Code...and time-dependent density functional theory (TD-DFT). The size of the clusters considered is relatively large compared to those considered in

  18. Simultaneous measurement of displacement current and absorption spectra of Langmuir film

    NASA Astrophysics Data System (ADS)

    Xu, Xiaobin; Kubota, Tohru; Iwamoto, Mitsumasa

    1995-07-01

    A Maxwell-displacement-current measuring system coupled with the system used for the measurement of absorption spectra of monolayers on a water surface has been developed. Using this system, the displacement current and the absorbance across monolayers of squarylium dye at the air/water surface were detected. It was found that the change in J aggregate in the monolayers with monolayer compression was detectable using the system.

  19. Terahertz Absorption by Cellulose: Application to Ancient Paper Artifacts

    NASA Astrophysics Data System (ADS)

    Peccianti, M.; Fastampa, R.; Mosca Conte, A.; Pulci, O.; Violante, C.; Łojewska, J.; Clerici, M.; Morandotti, R.; Missori, M.

    2017-06-01

    Artifacts made of cellulose, such as ancient documents, pose a significant experimental challenge in the terahertz transmission spectra interpretation due to their small optical thickness. In this paper, we describe a method to recover the complex refractive index of cellulose fibers from the terahertz transmission data obtained on single freely standing paper sheets in the (0.2-3.5)-THz range. By using our technique, we eliminate Fabry-Perot effects and recover the absorption coefficient of the cellulose fibers. The obtained terahertz absorption spectra are explained in terms of absorption peaks of the cellulose crystalline phase superimposed to a background contribution due to a disordered hydrogen-bond network. The comparison between the experimental spectra with terahertz vibrational properties simulated by density-functional-theory calculations confirms this interpretation. In addition, evident changes in the terahertz absorption spectra are produced by natural and artificial aging on paper samples, whose final stage is characterized by a spectral profile with only two peaks at about 2.1 and 3.1 THz. These results can be used to provide a quantitative assessment of the state of preservation of cellulose artifacts.

  20. Infrared band absorptance correlations and applications to nongray radiation. [mathematical models of absorption spectra for nongray atmospheres in order to study air pollution

    NASA Technical Reports Server (NTRS)

    Tiwari, S. N.; Manian, S. V. S.

    1976-01-01

    Various mathematical models for infrared radiation absorption spectra for atmospheric gases are reviewed, and continuous correlations for the total absorptance of a wide band are presented. Different band absorptance correlations were employed in two physically realistic problems (radiative transfer in gases with internal heat source, and heat transfer in laminar flow of absorbing-emitting gases between parallel plates) to study their influence on final radiative transfer results. This information will be applied to the study of atmospheric pollutants by infrared radiation measurement.

  1. Effect of solvent on absorption spectra of all-trans-{beta}-carotene under high pressure

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Liu, W. L.; Zheng, Z. R.; Liu, Z. G.

    The absorption spectra of all-trans-{beta}-carotene in n-hexane and carbon disulfide (CS{sub 2}) solutions are measured under high pressure at ambient temperature. The common redshift and broadening in the spectra are observed. Simulation of the absorption spectra was performed by using the time-domain formula of the stochastic model. The pressure dependence of the 0-0 band wavenumber is in agreement with the Bayliss theory at pressure higher than 0.2 GPa. The deviation of the linearity at lower pressure is ascribed to the reorientation of the solvent molecules. Both the redshift and broadening are stronger in CS{sub 2} than that in n-hexane becausemore » of the more sensitive pressure dependence of dispersive interactions in CS{sub 2} solution. The effect of pressure on the transition moment is explained with the aid of a simple model involving the relative dimension, location, and orientation of the solute and solvent molecules. The implication of these results for light-harvesting functions of carotenoids in photosynthesis is also discussed.« less

  2. Microwave Resonator Measurements of Atmospheric Absorption Coefficients: A Preliminary Design Study

    NASA Technical Reports Server (NTRS)

    Walter, Steven J.; Spilker, Thomas R.

    1995-01-01

    A preliminary design study examined the feasibility of using microwave resonator measurements to improve the accuracy of atmospheric absorption coefficients and refractivity between 18 and 35 GHz. Increased accuracies would improve the capability of water vapor radiometers to correct for radio signal delays caused by Earth's atmosphere. Calibration of delays incurred by radio signals traversing the atmosphere has applications to both deep space tracking and planetary radio science experiments. Currently, the Cassini gravity wave search requires 0.8-1.0% absorption coefficient accuracy. This study examined current atmospheric absorption models and estimated that current model accuracy ranges from 5% to 7%. The refractivity of water vapor is known to 1% accuracy, while the refractivity of many dry gases (oxygen, nitrogen, etc.) are known to better than 0.1%. Improvements to the current generation of models will require that both the functional form and absolute absorption of the water vapor spectrum be calibrated and validated. Several laboratory techniques for measuring atmospheric absorption and refractivity were investigated, including absorption cells, single and multimode rectangular cavity resonators, and Fabry-Perot resonators. Semi-confocal Fabry-Perot resonators were shown to provide the most cost-effective and accurate method of measuring atmospheric gas refractivity. The need for accurate environmental measurement and control was also addressed. A preliminary design for the environmental control and measurement system was developed to aid in identifying significant design issues. The analysis indicated that overall measurement accuracy will be limited by measurement errors and imprecise control of the gas sample's thermodynamic state, thermal expansion and vibration- induced deformation of the resonator structure, and electronic measurement error. The central problem is to identify systematic errors because random errors can be reduced by averaging

  3. Mapping Surface Water DOC in the Northern Gulf of Mexico Using CDOM Absorption Coefficients and Remote Sensing Imagery

    NASA Astrophysics Data System (ADS)

    Kelly, B.; Chelsky, A.; Bulygina, E.; Roberts, B. J.

    2017-12-01

    Remote sensing techniques have become valuable tools to researchers, providing the capability to measure and visualize important parameters without the need for time or resource intensive sampling trips. Relationships between dissolved organic carbon (DOC), colored dissolved organic matter (CDOM) and spectral data have been used to remotely sense DOC concentrations in riverine systems, however, this approach has not been applied to the northern Gulf of Mexico (GoM) and needs to be tested to determine how accurate these relationships are in riverine-dominated shelf systems. In April, July, and October 2017 we sampled surface water from 80+ sites over an area of 100,000 km2 along the Louisiana-Texas shelf in the northern GoM. DOC concentrations were measured on filtered water samples using a Shimadzu TOC-VCSH analyzer using standard techniques. Additionally, DOC concentrations were estimated from CDOM absorption coefficients of filtered water samples on a UV-Vis spectrophotometer using a modification of the methods of Fichot and Benner (2011). These values were regressed against Landsat visible band spectral data for those same locations to establish a relationship between the spectral data, CDOM absorption coefficients. This allowed us to spatially map CDOM absorption coefficients in the Gulf of Mexico using the Landsat spectral data in GIS. We then used a multiple linear regressions model to derive DOC concentrations from the CDOM absorption coefficients and applied those to our map. This study provides an evaluation of the viability of scaling up CDOM absorption coefficient and remote-sensing derived estimates of DOC concentrations to the scale of the LA-TX shelf ecosystem.

  4. Detection of absorption lines in the spectra of X-ray bursts from X1608-52

    NASA Astrophysics Data System (ADS)

    Nakamura, Norio; Inoue, Hajime; Tanaka, Yasuo

    X-ray bursts from X 1608-52 were observed with the gas scintillation proportional counters on the Tenma satellite. Absorption features were detected in the spectra of three bursts among 17 bursts observed. These absorption features are consistent with a common absorption line at 4.1 keV. The energy and the properties of the absorption lines of the X 1608-52 bursts are very similar to those observed from the X 1636-53 bursts by Waki et al. (1984). Near equality of the absorption-line energies for X 1636-53 and X 1608-52 would imply that mass and radius of the neutron stars in these two systems are very similar to each other.

  5. Changing of optical absorption and scattering coefficients in nonlinear-optical crystal lithium triborate before and after interaction with UV-radiation

    NASA Astrophysics Data System (ADS)

    Demkin, Artem S.; Nikitin, Dmitriy G.; Ryabushkin, Oleg A.

    2016-04-01

    In current work optical properties of LiB3O5 (LBO) crystal with ultraviolet (UV) (λ= 266 nm) induced volume macroscopic defect (track) are investigated using novel piezoelectric resonance laser calorimetry technique. Pulsed laser radiation of 10 W average power at 532 nm wavelength, is consecutively focused into spatial regions with and without optical defect. For these cases exponential fitting of crystal temperature kinetics measured during its irradiation gives different optical absorption coefficients α1 = 8.1 • 10-4 cm-1 (region with defect) and α =3.9ṡ10-4 cm-1 (non-defected region). Optical scattering coefficient is determined as the difference between optical absorption coefficients measured for opaque and transparent lateral facets of the crystal respectively. Measurements reveal that scattering coefficient of LBO in the region with defect is three times higher than the optical absorption coefficient.

  6. [Near ultraviolet absorption spectral properties of chromophoric dissolved organic matter in the north area of Yellow Sea].

    PubMed

    Wang, Lin; Zhao, Dong-Zhi; Yang, Jian-Hong; Chen, Yan-Long

    2010-12-01

    Chromophoric dissolved organic matter (CDOM) near ultraviolet absorption spectra contains CDOM molecular structure, composition and other important physical and chemical information. Based on the measured data of CDOM absorption coefficient in March 2009 in the north area of Yellow Sea, the present paper analyzed near ultraviolet absorption spectral properties of CDOM. The results showed that due to the impact of near-shore terrigenous input, the composition of CDOM is quite different in the north area of Yellow Sea, and this area is a typical case II water; fitted slope with specific range of spectral band and absorption coefficient at specific band can indicate the relative size of CDOM molecular weight, correlation between spectral slope of the Sg,275-300), Sg,300-350, Sg,350-400 and Sg,250-275 and the relative size of CDOM molecular weight indicative parameter M increases in turn and the highest is up to 0.95. Correlation between a(g)(lambda) and M value increases gradually with the increase in wavelength, and the highest is up to 0.92 at 400 nm; being correlated or not between spectral slope and absorption coefficient is decided by the fitting-band wavelength range for the spectra slope and the wavelength for absorption coefficient. Correlation between Sg,275-300 and a(g)(400) is the largest, up to 0.87.

  7. A model predicting the evolution of ice particle size spectra and radiative properties of cirrus clouds. Part 2: Dependence of absorption and extinction on ice crystal morphology

    NASA Technical Reports Server (NTRS)

    Mitchell, David L.; Arnott, W. Patrick

    1994-01-01

    This study builds upon the microphysical modeling described in Part 1 by deriving formulations for the extinction and absorption coefficients in terms of the size distribution parameters predicted from the micro-physical model. The optical depth and single scatter albedo of a cirrus cloud can then be determined, which, along with the asymmetry parameter, are the input parameters needed by cloud radiation models. Through the use of anomalous diffraction theory, analytical expressions were developed describing the absorption and extinction coefficients and the single scatter albedo as functions of size distribution parameters, ice crystal shapes (or habits), wavelength, and refractive index. The extinction coefficient was formulated in terms of the projected area of the size distribution, while the absorption coefficient was formulated in terms of both the projected area and mass of the size distribution. These properties were formulated as explicit functions of ice crystal geometry and were not based on an 'effective radius.' Based on simulations of the second cirrus case study described in Part 1, absorption coefficients predicted in the near infrared for hexagonal columns and rosettes were up to 47% and 71% lower, respectively, than absorption coefficients predicted by using equivalent area spheres. This resulted in single scatter albedos in the near-infrared that were considerably greater than those predicted by the equivalent area sphere method. Reflectances in this region should therefore be underestimated using the equivalent area sphere approach. Cloud optical depth was found to depend on ice crystal habit. When the simulated cirrus cloud contained only bullet rosettes, the optical depth was 142% greater than when the cloud contained only hexagonal columns. This increase produced a doubling in cloud albedo. In the near-infrared (IR), the single scatter albedo also exhibited a significant dependence on ice crystal habit. More research is needed on the

  8. Novel absorptivity centering method utilizing normalized and factorized spectra for analysis of mixtures with overlapping spectra in different matrices using built-in spectrophotometer software

    NASA Astrophysics Data System (ADS)

    Lotfy, Hayam Mahmoud; Omran, Yasmin Rostom

    2018-07-01

    A novel, simple, rapid, accurate, and economical spectrophotometric method, namely absorptivity centering (a-Centering) has been developed and validated for the simultaneous determination of mixtures with partially and completely overlapping spectra in different matrices using either normalized or factorized spectrum using built-in spectrophotometer software without a need of special purchased program. Mixture I (Mix I) composed of Simvastatin (SM) and Ezetimibe (EZ) is the one with partial overlapping spectra formulated as tablets, while mixture II (Mix II) formed by Chloramphenicol (CPL) and Prednisolone acetate (PA) is that with complete overlapping spectra formulated as eye drops. These procedures do not require any separation steps. Resolution of spectrally overlapping binary mixtures has been achieved getting recovered zero-order (D0) spectrum of each drug, then absorbance was recorded at their maxima 238, 233.5, 273 and 242.5 nm for SM, EZ, CPL and PA, respectively. Calibration graphs were established with good correlation coefficients. The method shows significant advantages as simplicity, minimal data manipulation besides maximum reproducibility and robustness. Moreover, it was validated according to ICH guidelines. Selectivity was tested using laboratory-prepared mixtures. Accuracy, precision and repeatability were found to be within the acceptable limits. The proposed method is good enough to be applied to an assay of drugs in their combined formulations without any interference from excipients. The obtained results were statistically compared with those of the reported and official methods by applying t-test and F-test at 95% confidence level concluding that there is no significant difference with regard to accuracy and precision. Generally, this method could be used successfully for the routine quality control testing.

  9. Novel absorptivity centering method utilizing normalized and factorized spectra for analysis of mixtures with overlapping spectra in different matrices using built-in spectrophotometer software.

    PubMed

    Lotfy, Hayam Mahmoud; Omran, Yasmin Rostom

    2018-07-05

    A novel, simple, rapid, accurate, and economical spectrophotometric method, namely absorptivity centering (a-Centering) has been developed and validated for the simultaneous determination of mixtures with partially and completely overlapping spectra in different matrices using either normalized or factorized spectrum using built-in spectrophotometer software without a need of special purchased program. Mixture I (Mix I) composed of Simvastatin (SM) and Ezetimibe (EZ) is the one with partial overlapping spectra formulated as tablets, while mixture II (Mix II) formed by Chloramphenicol (CPL) and Prednisolone acetate (PA) is that with complete overlapping spectra formulated as eye drops. These procedures do not require any separation steps. Resolution of spectrally overlapping binary mixtures has been achieved getting recovered zero-order (D 0 ) spectrum of each drug, then absorbance was recorded at their maxima 238, 233.5, 273 and 242.5 nm for SM, EZ, CPL and PA, respectively. Calibration graphs were established with good correlation coefficients. The method shows significant advantages as simplicity, minimal data manipulation besides maximum reproducibility and robustness. Moreover, it was validated according to ICH guidelines. Selectivity was tested using laboratory-prepared mixtures. Accuracy, precision and repeatability were found to be within the acceptable limits. The proposed method is good enough to be applied to an assay of drugs in their combined formulations without any interference from excipients. The obtained results were statistically compared with those of the reported and official methods by applying t-test and F-test at 95% confidence level concluding that there is no significant difference with regard to accuracy and precision. Generally, this method could be used successfully for the routine quality control testing. Copyright © 2018 Elsevier B.V. All rights reserved.

  10. Absorption spectra analysis of hydrated uranium(III) complex chlorides

    NASA Astrophysics Data System (ADS)

    Karbowiak, M.; Gajek, Z.; Drożdżyński, J.

    2000-11-01

    Absorption spectra of powdered samples of hydrated uranium(III) complex chlorides of the formulas NH 4UCl 4 · 4H 2O and CsUCl 4 · 3H 2O have been recorded at 4.2 K in the 4000-26 000 cm -1 range. The analysis of the spectra enabled the determination of crystal-field parameters and assignment of 83 and 77 crystal-field levels for the tetrahydrate and trihydrate, respectively. The energies of the levels were computed by applying a simplified angular overlap model as well as a semiempirical Hamiltonian representing the combined atomic and crystal-field interactions. Ab initio calculations have enabled the application of a simplified parameterization and the determination of the starting values of the AOM parameters. The received results have proved that the AOM approach can quite well predict both the structure of the ground multiplet and the positions of the crystal-field levels in the 17 000-25 000 cm -1 range, usually obscured by strong f-d bands.

  11. Influence of temperature on water and aqueous glucose absorption spectra in the near- and mid-infrared regions at physiologically relevant temperatures.

    PubMed

    Jensen, Peter Snoer; Bak, Jimmy; Andersson-Engels, Stefan

    2003-01-01

    Near- and mid-infrared absorption spectra of pure water and aqueous 1.0 g/dL glucose solutions in the wavenumber range 8000-950 cm-1 were measured in the temperature range 30-42 degrees C in steps of 2 degrees C. Measurements were carried out with an FT-IR spectrometer and a variable pathlength transmission cell controlled within 0.02 degree C. Pathlengths of 50 microns and 0.4 mm were used in the mid- and near-infrared spectral region, respectively. Difference spectra were used to determine the effect of temperature on the water spectra quantitatively. These spectra were obtained by subtracting the 37 degrees C water spectrum from the spectra measured at other temperatures. The difference spectra reveal that the effect of temperature is highest in the vicinity of the strong absorption bands, with a number of isosbestic points with no temperature dependence and relatively flat plateaus in between. On the basis of these spectra, prospects for and limitations on data analysis for infrared diagnostic methods are discussed. As an example, the absorptive properties of glucose were studied in the same temperature range in order to determine the effect of temperature on the spectral shape of glucose. The change in water absorption associated with the addition of glucose has also been studied. An estimate of these effects is given and is related to the expected level of infrared signals from glucose in humans.

  12. Quantitative comparison of the absorption spectra of the gas mixtures in analogy to the criterion of Pearson

    NASA Astrophysics Data System (ADS)

    Kistenev, Yu. V.; Kuzmin, D. A.; Sandykova, E. A.; Shapovalov, A. V.

    2015-11-01

    An approach to the reduction of the space of the absorption spectra, based on the original criterion for profile analysis of the spectra, was proposed. This criterion dates back to the known statistics chi-square test of Pearson. Introduced criterion allows to quantify the differences of spectral curves.

  13. Measurements of trace constituents from atmospheric infrared emission and absorption spectra, a feasibility study

    NASA Technical Reports Server (NTRS)

    Goldman, A.; Williams, W. J.; Murcray, D. G.

    1974-01-01

    The feasibility of detecting eight trace constituents (CH4, HCl, HF, HNO3, NH3, NO, NO2 and SO2) against the rest of the atmospheric background at various altitudes from infrared emission and absorption atmospheric spectra was studied. Line-by-line calculations and observational data were used to establish features that can be observed in the atmospheric spectrum due to each trace constituent. Model calculations were made for experimental conditions which approximately represent state of the art emission and absorption spectrometers.

  14. On the uncertainties of photon mass energy-absorption coefficients and their ratios for radiation dosimetry

    NASA Astrophysics Data System (ADS)

    Andreo, Pedro; Burns, David T.; Salvat, Francesc

    2012-04-01

    A systematic analysis of the available data has been carried out for mass energy-absorption coefficients and their ratios for air, graphite and water for photon energies between 1 keV and 2 MeV, using representative kilovoltage x-ray spectra for mammography and diagnostic radiology below 100 kV, and for 192Ir and 60Co gamma-ray spectra. The aim of this work was to establish ‘an envelope of uncertainty’ based on the spread of the available data. Type A uncertainties were determined from the results of Monte Carlo (MC) calculations with the PENELOPE and EGSnrc systems, yielding mean values for µen/ρ with a given statistical standard uncertainty. Type B estimates were based on two groupings. The first grouping consisted of MC calculations based on a similar implementation but using different data and/or approximations. The second grouping was formed by various datasets, obtained by different authors or methods using the same or different basic data, and with different implementations (analytical, MC-based, or a combination of the two); these datasets were the compilations of NIST, Hubbell, Johns-Cunningham, Attix and Higgins, plus MC calculations with PENELOPE and EGSnrc. The combined standard uncertainty, uc, for the µen/ρ values for the mammography x-ray spectra is 2.5%, decreasing gradually to 1.6% for kilovoltage x-ray spectra up to 100 kV. For 60Co and 192Ir, uc is approximately 0.1%. The Type B uncertainty analysis for the ratios of µen/ρ values includes four methods of analysis and concludes that for the present data the assumption that the data interval represents 95% confidence limits is a good compromise. For the mammography x-ray spectra, the combined standard uncertainties of (µen/ρ)graphite,air and (µen/ρ)graphite,water are 1.5%, and 0.5% for (µen/ρ)water,air, decreasing gradually down to uc = 0.1% for the three µen/ρ ratios for the gamma-ray spectra. The present estimates are shown to coincide well with those of Hubbell (1977 Rad. Res

  15. Reference-free determination of tissue absorption coefficient by modulation transfer function characterization in spatial frequency domain.

    PubMed

    Chen, Weiting; Zhao, Huijuan; Li, Tongxin; Yan, Panpan; Zhao, Kuanxin; Qi, Caixia; Gao, Feng

    2017-08-08

    Spatial frequency domain (SFD) measurement allows rapid and non-contact wide-field imaging of the tissue optical properties, thus has become a potential tool for assessing physiological parameters and therapeutic responses during photodynamic therapy of skin diseases. The conventional SFD measurement requires a reference measurement within the same experimental scenario as that for a test one to calibrate mismatch between the real measurements and the model predictions. Due to the individual physical and geometrical differences among different tissues, organs and patients, an ideal reference measurement might be unavailable in clinical trials. To address this problem, we present a reference-free SFD determination of absorption coefficient that is based on the modulation transfer function (MTF) characterization. Instead of the absolute amplitude that is used in the conventional SFD approaches, we herein employ the MTF to characterize the propagation of the modulated lights in tissues. With such a dimensionless relative quantity, the measurements can be naturally corresponded to the model predictions without calibrating the illumination intensity. By constructing a three-dimensional database that portrays the MTF as a function of the optical properties (both the absorption coefficient μ a and the reduced scattering coefficient [Formula: see text]) and the spatial frequency, a look-up table approach or a least-square curve-fitting method is readily applied to recover the absorption coefficient from a single frequency or multiple frequencies, respectively. Simulation studies have verified the feasibility of the proposed reference-free method and evaluated its accuracy in the absorption recovery. Experimental validations have been performed on homogeneous tissue-mimicking phantoms with μ a ranging from 0.01 to 0.07 mm -1 and [Formula: see text] = 1.0 or 2.0 mm -1 . The results have shown maximum errors of 4.86 and 7% for [Formula: see text] = 1.0 mm -1 and

  16. A method for monitoring nuclear absorption coefficients of aviation fuels

    NASA Technical Reports Server (NTRS)

    Sprinkle, Danny R.; Shen, Chih-Ping

    1989-01-01

    A technique for monitoring variability in the nuclear absorption characteristics of aviation fuels has been developed. It is based on a highly collimated low energy gamma radiation source and a sodium iodide counter. The source and the counter assembly are separated by a geometrically well-defined test fuel cell. A computer program for determining the mass attenuation coefficient of the test fuel sample, based on the data acquired for a preset counting period, has been developed and tested on several types of aviation fuel.

  17. Emission from water vapor and absorption from other gases at 5-7.5 μm in Spitzer-IRS Spectra Of Protoplanetary Disks

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sargent, B. A.; Forrest, W.; Watson, Dan M.

    We present spectra of 13 T Tauri stars in the Taurus-Auriga star-forming region showing emission in Spitzer Space Telescope Infrared Spectrograph 5-7.5 μm spectra from water vapor and absorption from other gases in these stars' protoplanetary disks. Seven stars' spectra show an emission feature at 6.6 μm due to the ν{sub 2} = 1-0 bending mode of water vapor, with the shape of the spectrum suggesting water vapor temperatures >500 K, though some of these spectra also show indications of an absorption band, likely from another molecule. This water vapor emission contrasts with the absorption from warm water vapor seenmore » in the spectrum of the FU Orionis star V1057 Cyg. The other 6 of the 13 stars have spectra showing a strong absorption band, peaking in strength at 5.6-5.7 μm, which for some is consistent with gaseous formaldehyde (H{sub 2}CO) and for others is consistent with gaseous formic acid (HCOOH). There are indications that some of these six stars may also have weak water vapor emission. Modeling of these stars' spectra suggests these gases are present in the inner few AU of their host disks, consistent with recent studies of infrared spectra showing gas in protoplanetary disks.« less

  18. Far-ultraviolet absorption spectra of quasars: How to find missing hot gas and metals

    NASA Technical Reports Server (NTRS)

    Verner, D. A.; Tytler, David; Barthel, P. D.

    1994-01-01

    We show that some high-redshift QSO absorption systems that reveal only the H I Lyman series lines at wavelengths visible from the ground maybe a new class of ultra-high-ionization metal line systems, with metal lines in the far-UV region which is now being explored with satellites. At high temperatures or in intense radiation fields metal systems will not show the usual C IV absorption, and O VI will become the most prominent metal absorber. At still higher ionization, O IV also becomes weak and the strongest metal lines are from Ne VIII, Mg X and Si XII, which have doublets in the rangs 500-800 A. Hence very high ionization metal systems will not show metal lines in existing spectra. Recent X-ray observations show that galaxy halos contain hot gas, so we predict that far-UV spectra of QSOs will also show this gas.

  19. Kα X-Ray Emission Spectra and K X-Ray Absorption-Edge Structures of Fluorine in 3d Transition-Metal Difluorides

    NASA Astrophysics Data System (ADS)

    Sugiura, Chikara

    1991-08-01

    The fluorine Kα emission spectra in fluorescence from a series of 3d transition-metal difluorides MF2 (M=Mn, Fe, Co, Ni, Cu and Zn) have been measured with a high-resolution two-crystal vacuum spectrometer. It is shown that the observed FWHM of the Kα1,2 emission band is closely related to the difference in the electronegativity between the metal and fluorine atoms. The measured emission spectra are presented along with the UPS or XPS spectra of the valence bands and the fluorine K absorption spectra of the metal difluorides, reported previously. The structures at the fluorine K absorption edges are interpreted in terms of a molecular orbital (MO) model.

  20. Ultraviolet absorption spectra of shock-heated carbon dioxide and water between 900 and 3050 K

    NASA Astrophysics Data System (ADS)

    Schulz, C.; Koch, J. D.; Davidson, D. F.; Jeffries, J. B.; Hanson, R. K.

    2002-03-01

    Spectrally resolved UV absorption cross-sections between 190 and 320 nm were measured in shock-heated CO 2 between 880 and 3050 K and H 2O between 1230 and 2860 K. Absorption spectra were acquired with 10 μs time resolution using a unique kinetic spectrograph, thereby enabling comparisons with time-dependent chemical kinetic modeling of post-shock thermal decomposition and chemical reactions. Although room temperature CO 2 is transparent (σ<10 -22 cm2) at wavelengths longer than 200 nm, hot CO 2 has significant absorption (σ>10 -20 cm2) extending to wavelengths longer than 300 nm. The temperature dependence of CO 2 absorption strongly suggests sharply increased transition probabilities from excited vibrational levels.

  1. Improving atmospheric CO2 retrievals using line mixing and speed-dependence when fitting high-resolution ground-based solar spectra

    NASA Astrophysics Data System (ADS)

    Mendonca, J.; Strong, K.; Toon, G. C.; Wunch, D.; Sung, K.; Deutscher, N. M.; Griffith, D. W. T.; Franklin, J. E.

    2016-05-01

    A quadratic speed-dependent Voigt spectral line shape with line mixing (qSDV + LM) has been included in atmospheric trace-gas retrievals to improve the accuracy of the calculated CO2 absorption coefficients. CO2 laboratory spectra were used to validate absorption coefficient calculations for three bands: the strong 20013 ← 00001 band centered at 4850 cm-1, and the weak 30013 ← 00001 and 30012 ← 00001 bands centered at 6220 cm-1 and 6340 cm-1 respectively, and referred to below as bands 1 and 2. Several different line lists were tested. Laboratory spectra were best reproduced for the strong CO2 band when using HITRAN 2008 spectroscopic data with air-broadened widths divided by 0.985, self-broadened widths divided by 0.978, line mixing coefficients calculated using the exponential power gap (EPG) law, and a speed-dependent parameter of 0.11 used for all lines. For the weak CO2 bands, laboratory spectra were best reproduced using spectroscopic parameters from the studies by Devi et al. in 2007 coupled with line mixing coefficients calculated using the EPG law. A total of 132,598 high-resolution ground-based solar absorption spectra were fitted using qSDV + LM to calculate CO2 absorption coefficients and compared to fits that used the Voigt line shape. For the strong CO2 band, the average root mean square (RMS) residual is 0.49 ± 0.22% when using qSDV + LM to calculate the absorption coefficients. This is an improvement over the results with the Voigt line shape, which had an average RMS residual of 0.60 ± 0.21%. When using the qSDV + LM to fit the two weak CO2 bands, the average RMS residual is 0.47 ± 0.19% and 0.51 ± 0.20% for bands 1 and 2, respectively. These values are identical to those obtained with the Voigt line shape. Finally, we find that using the qSDV + LM decreases the airmass dependence of the column averaged dry air mole fraction of CO2 retrieved from the strong and both weak CO2 bands when compared to the retrievals obtained using the Voigt

  2. The CO2 absorption spectrum in the 2.3 μm transparency window by high sensitivity CRDS: (II) Self-absorption continuum

    NASA Astrophysics Data System (ADS)

    Mondelain, D.; Vasilchenko, S.; Čermák, P.; Kassi, S.; Campargue, A.

    2017-01-01

    The CO2 absorption continuum near 2.3 μm is determined for a series of sub atmospheric pressures (250-750 Torr) by high sensitivity Cavity Ring Down Spectroscopy. An experimental procedure consisting in injecting successively a gas flow of CO2 and synthetic air, keeping constant the gas pressure in the CRDS cell, has been developed. This procedure insures a high stability of the spectra baseline by avoiding changes of the optical alignment due to pressure changes. The CO2 continuum was obtained as the difference between the CO2 absorption coefficient and a local lines simulation using a Voigt profile truncated at ±25 cm-1. Following the results of the preceding analysis of the CO2 rovibrational lines (Vasilchenko S et al. J Quant Spectrosc Radiat Transfer 10.1016/j.jqsrt.2016.07.002, a CO2 line list with intensities obtained by variational calculations and empirical line positions was preferred to the HITRAN line list. A quadratic pressure dependence of the absorption continuum is observed, with an average binary absorption coefficient increasing from 2 to 4×10-8 cm-1 amagat-2 between 4320 and 4380 cm-1. The obtained continuum is found in good agreement with a previous measurement using much higher densities (20 amagat) and a low resolution grating spectrograph and is consistent with values currently used in the analysis of Venus spectra.

  3. Use of Isobestic and Isoemission Points in Absorption and Luminescence Spectra for Study of the Transformation of Radiation Defects in Lithium Fluoride

    NASA Astrophysics Data System (ADS)

    Voitovich, A. P.; Kalinov, V. S.; Stupak, A. P.; Runets, L. P.

    2015-03-01

    Isobestic and isoemission points are recorded in the combined absorption and luminescence spectra of two types of radiation defects involved in complex processes consisting of several simultaneous parallel and sequential reactions. These points are observed if a constant sum of two terms, each formed by the product of the concentration of the corresponding defect and a characteristic integral coefficient associated with it, is conserved. The complicated processes involved in the transformation of radiation defects in lithium fluoride are studied using these points. It is found that the ratio of the changes in the concentrations of one of the components and the reaction product remains constant in the course of several simultaneous reactions.

  4. Seismic site coefficients and acceleration design response spectra based on conditions in South Carolina : final report.

    DOT National Transportation Integrated Search

    2014-11-15

    The simplified procedure in design codes for determining earthquake response spectra involves : estimating site coefficients to adjust available rock accelerations to site accelerations. Several : investigators have noted concerns with the site coeff...

  5. TD-M06-2X insights into the absorption and emission spectra of dichlorvos and its molecularly imprinted recognition by methacrylic acid.

    PubMed

    Cheng, Xueli

    2016-11-01

    The absorption and emission spectra of dichlorvos and the dichlorvos-MAA complex in methanol, water, and chloroform in the molecularly imprinted recognition were investigated systematically. The M06-2X results revealed that: 1) the hydroxyl groups in polar solvents such as methanol and water may markedly influence the weak interactions, and then alter the adsorption and emission spectra; 2) the electronic excitation in absorption spectra of dichlorvos is dominated by the configuration HOMO → LUMO, but in the most stable dichlorvos-MAA it becomes the ππ* excitation of HOMO → LUMO + 1; 3) Mulliken charges reveal that dichlorvos almost dissociates to Cl - and a cation in its S 1 excitation state; 4) the phosphorescence spectra of dichlorvos-MAA are relatively weak. Graphical Abstract The absorption and emission spectra of dichlorvos and the dichlorvos-MAA complex in the molecularly imprinted recognition of dichlorvos were investigated systematically in methanol, water, and chloroform as solvents.

  6. Sound absorption coefficient in situ: an alternative for estimating soil loss factors.

    PubMed

    Freire, Rosane; Meletti de Abreu, Marco Henrique; Okada, Rafael Yuri; Soares, Paulo Fernando; GranhenTavares, Célia Regina

    2015-01-01

    The relationship between the sound absorption coefficient and factors of the Universal Soil Loss Equation (USLE) was determined in a section of the Maringá Stream basin, Paraná State, by using erosion plots. In the field, four erosion plots were built on a reduced scale, with dimensions of 2.0×12.5m. With respect to plot coverage, one was kept with bare soil and the others contained forage grass (Brachiaria), corn and wheat crops, respectively. Planting was performed without any type of conservation practice in an area with a 9% slope. A sedimentation tank was placed at the end of each plot to collect the material transported. For the acoustic system, pink noise was used in the measurement of the proposed monitoring, for collecting information on incident and reflected sound pressure levels. In general, obtained values of soil loss confirmed that 94.3% of material exported to the basin water came from the bare soil plot, 2.8% from the corn plot, 1.8% from the wheat plot, and 1.1% from the forage grass plot. With respect to the acoustic monitoring, results indicated that at 16kHz erosion plot coverage type had a significant influence on the sound absorption coefficient. High correlation coefficients were found in estimations of the A and C factors of the USLE, confirming that the acoustic technique is feasible for the determination of soil loss directly in the field. Copyright © 2014 Elsevier B.V. All rights reserved.

  7. Theoretical infrared and electronic absorption spectra of C16H10 isomers, their ions and doubly ions

    NASA Astrophysics Data System (ADS)

    Naganathappa, Mahadevappa; Chaudhari, Ajay

    2012-09-01

    Polycyclic aromatic hydrocarbons (PAHs) or PAH-related molecules are considered to be responsible for the unidentified infrared (UIR) emission features at 3.3, 6.2, 7.7, 8.6 and 11.2 μm. However, the exact identification of PAH or PAH-related molecules is difficult. There have been several investigations on the spectroscopic characterization of PAH molecules. But none of them compared the spectra of isomers of PAHs, which might have help in the identification of the UIR emission features. This work presents the infrared and electronic absorption spectra of isomers of C16H10. The aim of the present work is to compare infrared and electronic absorption spectra of four isomers of C16H10 PAH viz. pyrene, aceanthrylene, acephenanthrylene and fluoranthene, their ions and doubly ions. We also compare the spectra of pyrene in the gas-phase and in H2O ice. We have used the density functional theory with B3LYP exchange and correlation functional and 6-311++g** basis set to study the infrared spectra. The time-dependent density functional theory (TDDFT) has been used to obtain the electronic absorption spectra. Significant difference in the CC stretching, CH in-plane bending and CH out-of-plane bending vibration modes is observed for the isomers of C16H10 whereas there is no large difference in the CH stretching vibration band. A significant change in the vibrational band is observed for pyrene in H2O ice compared to gas-phase pyrene. Though isomers of C16H10 PAH have the same number of carbon and hydrogen atoms, their spectroscopic characteristics are different. This study should help in identifying the isomers of C16H10, their ions and doubly cation in the interstellar medium.

  8. Effects of temperature-dependent molecular absorption coefficients on the thermal infrared remote sensing of the earth surface

    NASA Technical Reports Server (NTRS)

    Wan, Zhengming; Dozier, Jeff

    1992-01-01

    The effect of temperature-dependent molecular absorption coefficients on thermal infrared spectral signatures measured from satellite sensors is investigated by comparing results from the atmospheric transmission and radiance codes LOWTRAN and MODTRAN and the accurate multiple scattering radiative transfer model ATRAD for different atmospheric profiles. The sensors considered include the operational NOAA AVHRR and two research instruments planned for NASA's Earth Observing System (EOS): MODIS-N (Moderate Resolution Imaging Spectrometer-Nadir-Mode) and ASTER (Advanced Spaceborne Thermal Emission and Reflection Radiometer). The difference in band transmittance is as large as 6 percent for some thermal bands within atmospheric windows and more than 30 percent near the edges of these atmospheric windows. The effect of temperature-dependent molecular absorption coefficients on satellite measurements of sea-surface temperature can exceed 0.6 K. Quantitative comparison and factor analysis indicate that more accurate measurements of molecular absorption coefficients and better radiative transfer simulation methods are needed to achieve SST accuracy of 0.3 K, as required for global numerical models of climate, and to develop land-surface temperature algorithms at the 1-K accuracy level.

  9. Theoretical calculations on the electron absorption spectra of selected Polycyclic Aromatic Hydrocarbons (PAH) and derivatives

    NASA Technical Reports Server (NTRS)

    Du, Ping

    1993-01-01

    As a theoretical component of the joint effort with the laboratory of Dr. Lou Allamandola to search for potential candidates for interstellar organic carbon compound that are responsible for the visible diffuse interstellar absorption bands (DIB's), quantum mechanical calculations were performed on the electron absorption spectra of selected polycyclic aromatic hydrocarbons (PAH) and derivatives. In the completed project, 15 different species of naphthalene, its hydrogen abstraction and addition derivatives, and corresponding cations and anions were studied. Using semiempirical quantum mechanical method INDO/S, the ground electronic state of each species was evaluated with restricted Hartree-Fock scheme and limited configuration interaction. The lowest energy spin state for each species was used for electron absorption calculations. Results indicate that these calculations are accurate enough to reproduce the spectra of naphthalene cation and anion observed in neon matrix. The spectral pattern of the hydrogen abstraction and addition derivatives predicted based on these results indicate that the electron configuration of the pi orbitals of these species is the dominant determinant. A combined list of 19 absorptions calculated from 4500 A to 10,400 A were compiled and suggested as potential candidates that are relevant for the DIB's absorptions. Continued studies on pyrene and derivatives revealed the ground state symmetries and multiplicities of its neutral, anionic, and cationic species. Spectral calculations show that the cation (B(sub 3g)-2) and the anion (A(sub u)-2) are more likely to have low energy absorptions in the regions between 10 kK and 20 kK, similar to naphthalene. These absorptions, together with those to be determined from the hydrogen abstraction and addition derivatives of pyrene, can be used to provide additional candidates and suggest experimental work in the search for interstellar compounds that are responsible for DIB's.

  10. Förster resonance energy transfer, absorption and emission spectra in multichromophoric systems. III. Exact stochastic path integral evaluation.

    PubMed

    Moix, Jeremy M; Ma, Jian; Cao, Jianshu

    2015-03-07

    A numerically exact path integral treatment of the absorption and emission spectra of open quantum systems is presented that requires only the straightforward solution of a stochastic differential equation. The approach converges rapidly enabling the calculation of spectra of large excitonic systems across the complete range of system parameters and for arbitrary bath spectral densities. With the numerically exact absorption and emission operators, one can also immediately compute energy transfer rates using the multi-chromophoric Förster resonant energy transfer formalism. Benchmark calculations on the emission spectra of two level systems are presented demonstrating the efficacy of the stochastic approach. This is followed by calculations of the energy transfer rates between two weakly coupled dimer systems as a function of temperature and system-bath coupling strength. It is shown that the recently developed hybrid cumulant expansion (see Paper II) is the only perturbative method capable of generating uniformly reliable energy transfer rates and emission spectra across a broad range of system parameters.

  11. Transmission and Absorption Coefficients for Ocular Media of the Rhesus Monkey

    DTIC Science & Technology

    1978-12-01

    Report SAM-TR.78-32 @LEVtt ^ \\ TRANSMISSION AND ABSORPTION COEFFICIENTS FOR OGVLAR MEDIA OF THE RHESUS MONKEY 30 JO \\ Edward F. Maher... MONKEY 5. I il | ||| MhlHWr W PI liriTl i I III I 5" . Final Report ""■"’ 15 Sep 74 - 15 Sep 76 6 «HFORMtMO OHG REPORT KUMBE...for these calculations were performed spectrophotometrically using freshly enucleated rhesus monkey eyes and narrow-bandwidth radiation. Much of the

  12. [Similarities and differences in absorption characteristics and composition of CDOM between Taihu Lake and Chaohu Lake].

    PubMed

    Shi, Kun; Li, Yun-mei; Wang, Qiao; Yang, Yu; Jin, Xin; Wang, Yan-fei; Zhang, Hong; Yin, Bin

    2010-05-01

    Field experiments are conducted separately in Taihu Lake and Chaohu Lake on Apr. and Jun. 2009. The changes in absorption spectra of chromophoric dissolved organic matter (CDOM) characteristics are analyzed using spectral differential analysis technology. According the spectral differential characteristic of absorption coefficient; absorption coefficient from 240 to 450 nm is divided into different stages, and the value of spectral slope S is calculated in each stage. In Stage A, S value of CDOM in Taihu Lake and Chaohu Lake are 0.0166-0.0102 nm(-1) [average (0.0132 +/- 0.0017) nm(-1)], 0.029-0.017 nm(-1) [average (0.0214 +/- 0.0024) nm(-1)]. In Stage B, S values are 0.0187-0.0148 nm(-1) [average (0.0169 +/- 0.001) nm(-1)], 0.0179-0.0055 nm(-1) [average (0.0148 +/- 0.002) nm(-1)]. In Stage C, S values are 0.0208-0.0164 nm(-1) [average (0.0186 +/- 0.0009) nm(-1)], 0.0253-0.0161 nm(-1) [average (0.0197 +/- 0.002) nm(-1)]. The results can be concluded as: (1) Absorption coefficient of water in Taihu Lake, and its contribution to absorption of each component is less than that of water in Chaohu Lake, however the standardized absorption coefficient is larger than that in Chaohu Lake. (2) Both in Taihu Lake and Chaohu Lake, derivative spectra of CDOM absorption coefficient reached valley at 260nm, then rise to top at 290 nm, CDOM absorption coefficient can be delivered into three stages. (3) Generally speaking, content of CDOM in Taihu Lake is less than in Chaohu Lake. (4) pectrum slope (S value) of CDOM is related to composition of CDOM, when content of humic acid in CDOM gets higher, S value of Stage B is the most sensitive value, then is the S value of Stage C. Oppositely, S value of Stage B gets the most sensitive value, then is the S value of Stage A; the least sensitive value is in Stage B.

  13. Use of radial symmetry for the calculation of cylindrical absorption coefficients and optimal capillary loadings

    DOE PAGES

    Khalifah, Peter

    2015-02-01

    The problem of numerically evaluating absorption correction factors for cylindrical samples has been revisited using a treatment that fully takes advantage of the sample symmetry. It is shown that the path lengths for all points within the sample at all possible diffraction angles can be trivially determined once the angle-dependent distance distribution for a single line of points is calculated. This provides advantages in both computational efficiency and in gaining an intuitive understanding of the effects of absorption on diffraction data. A matrix of absorption coefficients calculated for µR products between 0 and 20 for diffraction angles θ D ofmore » 0° to 90° were used to examine the influence of (1) capillary diameter and of (2) sample density on the overall scattered intensity as a function of diffraction angle, where µ is the linear absorption coefficient for the sample and R is the capillary radius. Based on this analysis, the optimal sample loading for a capillary experiment to maximize diffraction at angles of 0 – 50° is in general expected to be achieved when the maximum radius capillary compatible with the beam is used, and when the sample density is adjusted to be 3/(4µR) of its original density.« less

  14. Substitution effects on the absorption spectra of nitrophenolate isomers.

    PubMed

    Wanko, Marius; Houmøller, Jørgen; Støchkel, Kristian; Suhr Kirketerp, Maj-Britt; Petersen, Michael Åxman; Nielsen, Mogens Brøndsted; Nielsen, Steen Brøndsted; Rubio, Angel

    2012-10-05

    Charge-transfer excitations highly depend on the electronic coupling between the donor and acceptor groups. Nitrophenolates are simple examples of charge-transfer systems where the degree of coupling differs between ortho, meta and para isomers. Here we report the absorption spectra of the isolated anions in vacuo to avoid the complications of solvent effects. Gas-phase action spectroscopy was done with two different setups, an electrostatic ion storage ring and an accelerator mass spectrometer. The results are interpreted on the basis of CC2 quantum chemical calculations. We identified absorption maxima at 393, 532, and 399 nm for the para, meta, and ortho isomer, respectively, with the charge-transfer transition into the lowest excited singlet state. In the meta isomer, this π-π* transition is strongly redshifted and its oscillator strength reduced, which is related to the pronounced charge-transfer character, as a consequence of the topology of the conjugated π-system. Each isomer's different charge distribution in the ground state leads to a very different solvent shift, which in acetonitrile is bathochromic for the para and ortho, but hypsochromic for the meta isomer.

  15. First principles absorption spectra of Cu{sub n} (n = 2 - 20) clusters.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Baishya, K.; Idrobo, J. C.; Ogut, S.

    2011-06-17

    Optical absorption spectra for the computed ground state structures of copper clusters (Cu{sub n}, n = 2-20) are investigated from first principles using time-dependent density functional theory in the adiabatic local density approximation (TDLDA). The results are compared with available experimental data, existing calculations, and with results from our previous computations on silver and gold clusters. The main effects of d electrons on the absorption spectra, quenching the oscillator strengths, and getting directly involved in low-energy excitations increase in going from Ag{sub n} to Au{sub n} to Cu{sub n} due to the increase in the hybridization of the occupied, yetmore » shallow, d orbitals and the partially occupied s orbitals. We predict that while Cu nanoparticles of spherical or moderately ellipsoidal shape do not exhibit Mie (surface plasmon) resonances, unlike the case for Ag and Au, extremely prolate or oblate Cu nanoparticles with eccentricities near unity should give rise to Mie resonances in the lower end of the visible range and in the infrared. This tunable resonance predicted by the classical Mie-Gans theory is reproduced with remarkable accuracy by our TDLDA computations on hypothetical Cu clusters in the form of zigzag chains with as few as 6 to 20 atoms.« less

  16. Thermally induced effect on sub-band gap absorption in Ag doped CdSe thin films

    NASA Astrophysics Data System (ADS)

    Kaur, Jagdish; Sharma, Kriti; Bharti, Shivani; Tripathi, S. K.

    2015-05-01

    Thin films of Ag doped CdSe have been prepared by thermal evaporation using inert gas condensation (IGC) method taking Argon as inert gas. The prepared thin films are annealed at 363 K for one hour. The sub-band gap absorption spectra in the as deposited and annealed thin films have been studied using constant photocurrent method (CPM). The absorption coefficient in the sub-band gap region is described by an Urbach tail in both as deposited and annealed thin films. The value of Urbach energy and number density of trap states have been calculated from the absorption coefficient in the sub-band gap region which have been found to increase after annealing treatment indicating increase in disorderness in the lattice. The energy distribution of the occupied density of states below Fermi level has also been studied using derivative procedure of absorption coefficient.

  17. Total absorption spectroscopy of fission fragments relevant for reactor antineutrino spectra

    DOE PAGES

    Fallot, M.; Porta, A.; Meur, L. Le; ...

    2017-09-13

    Here, the accurate determination of reactor antineutrino spectra remains a very active research topic for which new methods of study have emerged in recent years. Indeed, following the long-recognized reactor anomaly (measured antineutrino deficit in short baseline reactor experiments when compared with spectral predictions), the three international reactor neutrino experiments Double Chooz, Daya Bay and Reno have recently demonstrated the existence of spectral distortions in their measurements with respect to the same predictions. These spectral predictions were obtained through the conversion of integral beta-energy spectra obtained at the ILL research reactor. Several studies have shown that the underlying nuclear physicsmore » required for the conversion of these spectra into antineutrino spectra is not totally understood. An alternative to such converted spectra is a complementary approach that consists of determining the antineutrino spectrum by means of the measurement and processing of nuclear data. The beta properties of some key fission products suffer from the pandemonium effect which can be circumvented by the use of the Total Absorption Gamma-ray Spectroscopy technique (TAGS). The two main contributors to the Pressurized Water Reactor antineutrino spectrum in the region where the spectral distortion has been observed are 92Rb and 142Cs, which have been measured at the radioactive beam facility of the University of Jyvaskyla in two TAGS experiments. We present the results of the analysis of the TAGS measurements of the β-decay properties of 92Rb along with preliminary results on 142Cs and report on the measurements already performed.« less

  18. Total absorption spectroscopy of fission fragments relevant for reactor antineutrino spectra

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Fallot, M.; Porta, A.; Meur, L. Le

    Here, the accurate determination of reactor antineutrino spectra remains a very active research topic for which new methods of study have emerged in recent years. Indeed, following the long-recognized reactor anomaly (measured antineutrino deficit in short baseline reactor experiments when compared with spectral predictions), the three international reactor neutrino experiments Double Chooz, Daya Bay and Reno have recently demonstrated the existence of spectral distortions in their measurements with respect to the same predictions. These spectral predictions were obtained through the conversion of integral beta-energy spectra obtained at the ILL research reactor. Several studies have shown that the underlying nuclear physicsmore » required for the conversion of these spectra into antineutrino spectra is not totally understood. An alternative to such converted spectra is a complementary approach that consists of determining the antineutrino spectrum by means of the measurement and processing of nuclear data. The beta properties of some key fission products suffer from the pandemonium effect which can be circumvented by the use of the Total Absorption Gamma-ray Spectroscopy technique (TAGS). The two main contributors to the Pressurized Water Reactor antineutrino spectrum in the region where the spectral distortion has been observed are 92Rb and 142Cs, which have been measured at the radioactive beam facility of the University of Jyvaskyla in two TAGS experiments. We present the results of the analysis of the TAGS measurements of the β-decay properties of 92Rb along with preliminary results on 142Cs and report on the measurements already performed.« less

  19. Computing the Absorption and Emission Spectra of 5-Methylcytidine in Different Solvents: A Test-Case for Different Solvation Models.

    PubMed

    Martínez-Fernández, L; Pepino, A J; Segarra-Martí, J; Banyasz, A; Garavelli, M; Improta, R

    2016-09-13

    The optical spectra of 5-methylcytidine in three different solvents (tetrahydrofuran, acetonitrile, and water) is measured, showing that both the absorption and the emission maximum in water are significantly blue-shifted (0.08 eV). The absorption spectra are simulated based on CAM-B3LYP/TD-DFT calculations but including solvent effects with three different approaches: (i) a hybrid implicit/explicit full quantum mechanical approach, (ii) a mixed QM/MM static approach, and (iii) a QM/MM method exploiting the structures issuing from molecular dynamics classical simulations. Ab-initio Molecular dynamics simulations based on CAM-B3LYP functionals have also been performed. The adopted approaches all reproduce the main features of the experimental spectra, giving insights on the chemical-physical effects responsible for the solvent shifts in the spectra of 5-methylcytidine and providing the basis for discussing advantages and limitations of the adopted solvation models.

  20. Fluorescence, Absorption, and Excitation Spectra of Polycyclic Aromatic Hydrocarbons as a Tool for Quantitative Analysis

    ERIC Educational Resources Information Center

    Rivera-Figueroa, A. M.; Ramazan, K. A.; Finlayson-Pitts, B. J.

    2004-01-01

    A quantitative and qualitative study of the interplay between absorption, fluorescence, and excitation spectra of pollutants called polycyclic aromatic hydrocarbons (PAHs) is conducted. The study of five PAH displays the correlation of the above-mentioned properties along with the associated molecular changes.

  1. Analysis of atmospheric trace constituents from high resolution infrared balloon-borne and ground-based solar absorption spectra

    NASA Technical Reports Server (NTRS)

    Goldman, A.; Murcray, F. J.; Rinsland, C. P.; Blatherwick, R. D.; Murcray, F. H.; Murcray, D. G.

    1991-01-01

    Results of ongoing studies of high-resolution solar absorption spectra aimed at the identification and quantification of trace constituents of importance in the chemistry of the stratosphere and upper troposphere are presented. An analysis of balloon-borne and ground-based spectra obtained at 0.0025/cm covering the 700-2200/cm interval is presented. The 0.0025/cm spectra, along with corresponding laboratory spectra, improves the spectral line parameters, and thus the accuracy of quantifying trace constituents. Results for COF2, F22, SF6, and other species are presented. The retrieval methods used for total column density and altitude distribution for both ground-based and balloon-borne spectra are also discussed.

  2. Water vapor absorption coefficients in the 8-13-micron spectral region - A critical review

    NASA Technical Reports Server (NTRS)

    Grant, William B.

    1990-01-01

    Measurements of water vapor absorption coefficients in the thermal IR atmospheric window (8-13 microns) during the past 20 years obtained by a variety of techniques are reviewed for consistency and compared with computed values based on the AFGL spectral data tapes. The methods of data collection considered were atmospheric long path absorption with a CO2 laser or a broadband source and filters, a White cell and a CO2 laser or a broadband source and a spectrometer, and a spectrophone with a CO2 laser. Advantages and disadvantages of each measurement approach are given as a guide to further research. Continuum absorption has apparently been measured accurately to about the 5-10 percent level in five of the measurements reported.

  3. Kerr nonlinearity and nonlinear absorption coefficient in a four-level M-model cylindrical quantum dot under the phenomenon of electromagnetically induced transparency

    NASA Astrophysics Data System (ADS)

    Behroozian, B.; Askari, H. R.

    2018-07-01

    The Kerr nonlinearity and the nonlinear absorption coefficient in a four-level M-model of a GaAs cylindrical quantum dot (QD) with parabolic potential under electromagnetically induced transparency are investigated. By solving the density matrix equations in the steady-state, the third order susceptibility is obtained. Then, by using the real and imaginary parts of third order susceptibility, the Kerr nonlinearity and the nonlinear absorption coefficient, respectively, for this system are computed. The effects of the radius and height of the cylindrical QD are then investigated. In addition, the effects of the control laser fields on the Kerr nonlinearity and the nonlinear absorption coefficient are investigated.

  4. Exciton-Dominated Core-Level Absorption Spectra of Hybrid Organic-Inorganic Lead Halide Perovskites.

    PubMed

    Vorwerk, Christian; Hartmann, Claudia; Cocchi, Caterina; Sadoughi, Golnaz; Habisreutinger, Severin N; Félix, Roberto; Wilks, Regan G; Snaith, Henry J; Bär, Marcus; Draxl, Claudia

    2018-04-19

    In a combined theoretical and experimental work, we investigate X-ray absorption near-edge structure spectroscopy of the I L 3 and the Pb M 5 edges of the methylammonium lead iodide (MAPbI 3 ) hybrid inorganic-organic perovskite and its binary phase PbI 2 . The absorption onsets are dominated by bound excitons with sizable binding energies of a few hundred millielectronvolts and pronounced anisotropy. The spectra of both materials exhibit remarkable similarities, suggesting that the fingerprints of core excitations in MAPbI 3 are essentially given by its inorganic component, with negligible influence from the organic groups. The theoretical analysis complementing experimental observations provides the conceptual insights required for a full characterization of this complex material.

  5. Visible/near-infrared spectra and two-layer modeling of palagonite-coated Basalts

    USGS Publications Warehouse

    Johnson, J. R.; Grundy, W.M.

    2001-01-01

    Fine-grained dust coatings on Martian rocks and soils obscure underlying surfaces and hinder mineralogic interpretations of both remote sensing and in-situ observations. We investigate laboratory visible/near-infrared spectra of various thicknesses of palagonite coatings on basalt substrates. We develop a two-layer Hapke scattering model incorporating porosity, grain size, and derived absorption coefficients of palagonite and basalt that reproduces the observed spectra only when the single scattering particle phase function is varied with wavelength.

  6. Electronic absorption spectra of chromium-bearing sapphirine

    NASA Astrophysics Data System (ADS)

    Langer, K.; Platonov, A. N.; Matsuk, S. S.; Andrut, M.

    1994-05-01

    Violet, non-pleochroic and greenish-blue, pleochroic chromium-substituted sapphirines were found in corundum-bearing spinel-websterite xenolites from the Yakutian kimberlite pipes Noyabrskaya (N) and Sludyanka (Sl), respectively. The crystallochemical formulae of sapphirine crystals from such xenolites were determined by EMP to be (Mg3.40Fe0.23Al3.25Cr0.16)[6] Al{1.00/[6]}[O2/Al4.53Si1.47O18] (N) and (Mg2.53Fe0.55 Mn0.04Ti{0.03/4+}Al3.55Cr{0.08/3+})[6]Al{1.00/[16]}[O2/Al4.28Si1.73O18] (Sl). Single crystal spectra in the range 35000 6000 cm1- showed a slightly polarization dependent absorption edge near 3200 cm1- (N) or 30000 cm1- (Sl) and unpolarized bands at 25300 and 17300 cm1-, typical of spin-allowed transitions, derived from 4A2g→4T1g and 4A2g→4T2g, of Cr3+ in octahedral sites, with point symmetry C1, of the structure. Another weak band at 23000 cm-1 in the sapphirine-N spectra is attributed to low symmetry splitting of the excited 4T1 (F)-State of Cr3+. These assignments lead to crystal field parameters Dq=1730cm-1 and B= 685cm-1 of Cr3+ in sapphirine. Crystallochemical and spectroscopic arguments suggest that Cr3+ subsitutes for Al in the M(1) or M(8) sites of the sapphirine structure. In addition to Cr3+-transitions, spectra of Sl exhibit weak dd-bands of Fe2+ at 10000 and 7700 cm1-, which are unpolarized in consistency with the C1 site symmetry of the octahedra in the structure. Spectra of Sl show also prominent, broad bands (Δv1/2˜-5000 cm1-) at 15000 and 11000 cm1-, which occur in E//Y(//b) and E//Z(//c=12°) only and exhibit an intensity ratio αY∶αz close to 1∶3. This result, the large half width, as well as band energy — MM distance considerations suggest that these bands originate from Fe2+[6]-Fe3+[6] charge-transfer transitions in wall octahedra M(1)M(2), M(6)M(7) etc., forming MM vectors of 30° with the c-axis. The lack of Fe2+-Fe3+ charge-transfer bands in sapphirine N might indicate a lower oxygen fugacity during the formation of

  7. A reduced-scale railway noise barrier's insertion loss and absorption coefficients: comparison of field measurements and predictions

    NASA Astrophysics Data System (ADS)

    Busch, T. A.; Nugent, R. E.

    2003-10-01

    In situ testing determined the insertion loss ( IL) and absorption coefficients of a candidate absorptive noise barrier (soundwall) to abate railway noise for residents of Anaheim, CA. A 4000 m barrier is proposed south of the tracks, but residential areas to the north have expressed concerns that barrier reflections will increase their noise exposure. To address these concerns, a 3.66 m high by 14.6 m long demonstration barrier was built in the parking lot of Edison Field, Anaheim, as part of a public open house, thereby allowing for acoustical measurements. Insertion loss ( IL) was measured in third-octave bands assuming 1/2-scale construction. The IL for three, scaled railway noise sub-sources (rail/wheel interface, locomotive, and train horn) was measured at six, scaled distances. The highest total, A-weighted IL, after corrections for finite-barrier and point-source speaker effects was 22 dB(A) for rail/wheel noise, 18 dB(A) for locomotive noise, and 20 dB(A) for train horn noise. These results can be compared favourably to IL predictions made using algorithms from the US Federal Rail Administration (FRA) noise assessment guidelines. For the actual barrier installation, shielded residential receivers located south of the project are expected to see their future noise exposures reduced from an unmitigated 78 CNEL to 65 CNEL. Absorption coefficients were measured using time delay spectrometry. At lower frequencies, measured absorption coefficients were notably less than the reverberation room results advertised in the manufacturer's literature, but generally conformed with impedance tube results. At higher frequencies the correspondence between measured absorption coefficients and reverberation room results was much improved. For the actual barrier installation, unshielded residential receivers to the north are expected to experience noise exposure increases of less than 1 dB(A). This factor of increase is consistent with a finding of no impact when assessed

  8. The manifestation of optical centers in UV-Vis absorption and luminescence spectra of white blood human cells

    NASA Astrophysics Data System (ADS)

    Terent'yeva, Yu G.; Yashchuk, V. M.; Zaika, L. A.; Snitserova, O. M.; Losytsky, M. Yu

    2016-12-01

    A white blood human cells spectral investigation is presented. The aim of this series of experiments was to obtain and analyze the absorption and luminescence (fluorescence and phosphorescence) spectra at room temperature and at 78 K of newly isolated white blood human cells and their organelles. As a result the optical centers and possible biochemical components that form the studied spectra where identified. Also the differences between the spectra of abnormal cells (B-cell chronic lymphocytic leukemia BCLL) and normal ones were studied for the whole cells and individual organelles.

  9. Infrared absorption-coefficient data on SF6 applicable to atmospheric remote sensing

    NASA Technical Reports Server (NTRS)

    Varanasi, P.; Gopalan, A.; Brannon, J. F., Jr.

    1992-01-01

    Spectral absorption coefficients, k(nu)/cm per atm, of SF6 have been measured in the central Q-branches of the nu(3)-fundamental at 947/cm at various temperature-pressure combinations representing tangent heights in solar-occultation experiments or layers in the atmosphere. The data obtained with the Doppler-limited spectral resolution (about 0.0001/cm) of a tunable-diode laser spectrometer are useful in the atmospheric remote sensing of this trace gas.

  10. Measurements of air-broadened and nitrogen-broadened Lorentz width coefficients and pressure shift coefficients in the nu4 and nu2 bands of C-12H4

    NASA Technical Reports Server (NTRS)

    Rinsland, Curtis P.; Smith, Mary Ann H.; Devi, V. Malathy; Benner, D. Chris

    1988-01-01

    Air-broadened and N2-broadened halfwidth and pressure shift coefficients of 294 transitions in the nu4 and nu2 bands of C-12H4 have been measured from laboratory absorption spectra recorded at room temperature with the Fourier transform spectrometer in the McMath solar telescope facility of the National Solar Observatory. Total pressures of up to 551 Torr were employed with absorption paths of 5-150 cm, CH4 volume mixing ratios of 2.6 percent or less, and resolutions of 0.005 and 0.01/cm. A nonlinear least-squares spectral fitting technique has been utilized in the analysis of the twenty-five measured spectra. Lines up to J double-prime = 18 in the nu4 band and J double-prime = 15 in the nu2 band have been analyzed.

  11. The absorption, fluorescence and phosphorescence spectra of α and β-F, Cl, Br-naphthalenes in crystalline matrixes at 77 K

    NASA Astrophysics Data System (ADS)

    Iliescu, T.; Milea, I.; Abdolrahman, P. M.

    1984-03-01

    The paper studies the absorption, fluorescence and phosphorescence spectra of α and β-F, Cl, Br-naphtalenes (α, β-F, Cl,BrN) in different matrixes at 77 K and different concentrations. From these spectra one obtaines the vibrational frequences.

  12. X-Ray Absorption Spectra of Amorphous Ices from GW Quasiparticle Calculation

    NASA Astrophysics Data System (ADS)

    Kong, Lingzhu; Car, Roberto

    2013-03-01

    We use a GW approach[2] to compute the x-ray absorption spectra of model low- and high-density amorphous ice structures(LDA and HDA)[3]. We include the structural effects of quantum zero point motion using colored-noise Langevin molecular dynamics[4]. The calculated spectra differences in the main and post edge region between LDA and HDA agree well with experimental observations. We attribute these differences to the presence of interstitial molecules within the first coordination shell range in HDA. This assignment is further supported by a calculation of the spectrum of ice VIII, a high-pressure structure that maximizes the number of interstitial molecules and, accordingly, shows a much weaker post-edge feature. We further rationalize the spectral similarity between HDA and liquid water, and between LDA and ice Ih in terms of the respective similarities in the H-bond network topology and bond angle distributions. Supported by grants DOE-DE-SC0005180, DOE DE-SC0008626 and NSF-CHE-0956500.

  13. Subbarrier absorption in a stationary superlattice

    NASA Technical Reports Server (NTRS)

    Arutyunyan, G. M.; Nerkararyan, K. V.

    1984-01-01

    The calculation of the interband absorption coefficient was carried out in the classical case, when the frequency of light was assumed to bind two miniband subbarrier states of different bands. The influence of two dimensional Mott excitons on this absorption was studied and a comparison was made with the experiment. All of these considerations were done taking into account the photon wave vector (the phase spatial heterogeneity). The basic traits of the energy spectra of superlattice semiconductors, their kinetic and optical properties, and possible means of electromagnetic wave intensification were examined. By the density matrix method, a theory of electrical and electromagnetic properties of superlattices was suggested.

  14. Retrieval of phytoplankton cell size from chlorophyll a specific absorption and scattering spectra of phytoplankton.

    PubMed

    Zhou, Wen; Wang, Guifen; Li, Cai; Xu, Zhantang; Cao, Wenxi; Shen, Fang

    2017-10-20

    Phytoplankton cell size is an important property that affects diverse ecological and biogeochemical processes, and analysis of the absorption and scattering spectra of phytoplankton can provide important information about phytoplankton size. In this study, an inversion method for extracting quantitative phytoplankton cell size data from these spectra was developed. This inversion method requires two inputs: chlorophyll a specific absorption and scattering spectra of phytoplankton. The average equivalent-volume spherical diameter (ESD v ) was calculated as the single size approximation for the log-normal particle size distribution (PSD) of the algal suspension. The performance of this method for retrieving cell size was assessed using the datasets from cultures of 12 phytoplankton species. The estimations of a(λ) and b(λ) for the phytoplankton population using ESD v had mean error values of 5.8%-6.9% and 7.0%-10.6%, respectively, compared to the a(λ) and b(λ) for the phytoplankton populations using the log-normal PSD. The estimated values of C i ESD v were in good agreement with the measurements, with r 2 =0.88 and relative root mean square error (NRMSE)=25.3%, and relatively good performances were also found for the retrieval of ESD v with r 2 =0.78 and NRMSE=23.9%.

  15. Optimization of the acoustic absorption coefficients of certain functional absorbents

    NASA Technical Reports Server (NTRS)

    Pocsa, V.; Biborosch, L.; Veres, A.; Halpert, E.; Lorian, R.; Botos, T.

    1974-01-01

    The sound absorption coefficients of some functional absorbents (mineral wool plates) are determined by the reverberation chamber method. The influence of the angle of inclination of the sound absorbing material with respect to the surface to be treated is analyzed as well as the influence of the covering index, defined as the ratio of the designed area of a plate and the area of the treated surface belonging to another plate. As compared with the conventional method of applying sound-absorbing plates, the analyzed structures have a higher technological and economical efficiency. The optimum structure corresponds to an angle of inclination of 15 deg and a covering index of 0.8.

  16. Photon absorption potential coefficient as a tool for materials engineering

    NASA Astrophysics Data System (ADS)

    Akande, Raphael Oluwole; Oyewande, Emmanuel Oluwole

    2016-09-01

    Different atoms achieve ionizations at different energies. Therefore, atoms are characterized by different responses to photon absorption in this study. That means there exists a coefficient for their potential for photon absorption from a photon source. In this study, we consider the manner in which molecular constituents (atoms) absorb photon from a photon source. We observe that there seems to be a common pattern of variation in the absorption of photon among the electrons in all atoms on the periodic table. We assume that the electrons closest to the nucleus (En) and the electrons closest to the outside of the atom (Eo) do not have as much potential for photon absorption as the electrons at the middle of the atom (Em). The explanation we give to this effect is that the En electrons are embedded within the nuclear influence, and similarly, Eo electrons are embedded within the influence of energies outside the atom that there exists a low potential for photon absorption for them. Unlike En and Eo, Em electrons are conditioned, such that there is a quest for balance between being influenced either by the nuclear force or forces external to the atom. Therefore, there exists a higher potential for photon absorption for Em electrons than for En and Eo electrons. The results of our derivations and analysis always produce a bell-shaped curve, instead of an increasing curve as in the ionization energies, for all elements in the periodic table. We obtained a huge data of PAPC for each of the several materials considered. The point at which two or more PAPC values cross one another is termed to be a region of conflicting order of ionization, where all the atoms absorb equal portion of the photon source at the same time. At this point, a greater fraction of the photon source is pumped into the material which could lead to an explosive response from the material. In fact, an unimaginable and unreported phenomenon (in physics) could occur, when two or more PAPCs cross, and

  17. Compact characterization of liquid absorption and emission spectra using linear variable filters integrated with a CMOS imaging camera

    NASA Astrophysics Data System (ADS)

    Wan, Yuhang; Carlson, John A.; Kesler, Benjamin A.; Peng, Wang; Su, Patrick; Al-Mulla, Saoud A.; Lim, Sung Jun; Smith, Andrew M.; Dallesasse, John M.; Cunningham, Brian T.

    2016-07-01

    A compact analysis platform for detecting liquid absorption and emission spectra using a set of optical linear variable filters atop a CMOS image sensor is presented. The working spectral range of the analysis platform can be extended without a reduction in spectral resolution by utilizing multiple linear variable filters with different wavelength ranges on the same CMOS sensor. With optical setup reconfiguration, its capability to measure both absorption and fluorescence emission is demonstrated. Quantitative detection of fluorescence emission down to 0.28 nM for quantum dot dispersions and 32 ng/mL for near-infrared dyes has been demonstrated on a single platform over a wide spectral range, as well as an absorption-based water quality test, showing the versatility of the system across liquid solutions for different emission and absorption bands. Comparison with a commercially available portable spectrometer and an optical spectrum analyzer shows our system has an improved signal-to-noise ratio and acceptable spectral resolution for discrimination of emission spectra, and characterization of colored liquid’s absorption characteristics generated by common biomolecular assays. This simple, compact, and versatile analysis platform demonstrates a path towards an integrated optical device that can be utilized for a wide variety of applications in point-of-use testing and point-of-care diagnostics.

  18. Compact characterization of liquid absorption and emission spectra using linear variable filters integrated with a CMOS imaging camera.

    PubMed

    Wan, Yuhang; Carlson, John A; Kesler, Benjamin A; Peng, Wang; Su, Patrick; Al-Mulla, Saoud A; Lim, Sung Jun; Smith, Andrew M; Dallesasse, John M; Cunningham, Brian T

    2016-07-08

    A compact analysis platform for detecting liquid absorption and emission spectra using a set of optical linear variable filters atop a CMOS image sensor is presented. The working spectral range of the analysis platform can be extended without a reduction in spectral resolution by utilizing multiple linear variable filters with different wavelength ranges on the same CMOS sensor. With optical setup reconfiguration, its capability to measure both absorption and fluorescence emission is demonstrated. Quantitative detection of fluorescence emission down to 0.28 nM for quantum dot dispersions and 32 ng/mL for near-infrared dyes has been demonstrated on a single platform over a wide spectral range, as well as an absorption-based water quality test, showing the versatility of the system across liquid solutions for different emission and absorption bands. Comparison with a commercially available portable spectrometer and an optical spectrum analyzer shows our system has an improved signal-to-noise ratio and acceptable spectral resolution for discrimination of emission spectra, and characterization of colored liquid's absorption characteristics generated by common biomolecular assays. This simple, compact, and versatile analysis platform demonstrates a path towards an integrated optical device that can be utilized for a wide variety of applications in point-of-use testing and point-of-care diagnostics.

  19. Optical absorption and radiative heat transport in olivine at high temperature

    NASA Technical Reports Server (NTRS)

    Shankland, T. J.; Nitsan, U.; Duba, A. G.

    1979-01-01

    Results are presented of measurements of the optical absorption spectra (300-8000 nm) of olivine as a function of temperature (300-1700 K) under conditions of controlled and known oxygen fugacity within the stability field of the samples. The absorption spectra are used to calculate the temperature-dependent radiative transfer coefficient of olivine and to numerically study the accuracy of the method. The present absorption measurements in olivine under oxidizing conditions known to be within the olivine stability field indicate that the effective radiative conductivity K(R) is lower than that obtained in previous studies under different experimental conditions. The lower value of K(R) makes it more likely that some of the earth's internal heat is removed by convection and less likely that thermal models involving conduction and radiation alone will satisfactorily explain thermal conditions in the earth's mantle.

  20. Exciton-Dominated Core-Level Absorption Spectra of Hybrid Organic–Inorganic Lead Halide Perovskites

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Vorwerk, Christian; Hartmann, Claudia; Cocchi, Caterina

    In a combined theoretical and experimental work, we investigate X-ray absorption near-edge structure spectroscopy of the I L 3 and the Pb M 5 edges of the methylammonium lead iodide (MAPbI 3) hybrid inorganic-organic perovskite and its binary phase PbI 2. The absorption onsets are dominated by bound excitons with sizable binding energies of a few hundred millielectronvolts and pronounced anisotropy. The spectra of both materials exhibit remarkable similarities, suggesting that the fingerprints of core excitations in MAPbI 3 are essentially given by its inorganic component, with negligible influence from the organic groups. Furthermore, the theoretical analysis complementing experimental observationsmore » provides the conceptual insights required for a full characterization of this complex material.« less

  1. Exciton-Dominated Core-Level Absorption Spectra of Hybrid Organic–Inorganic Lead Halide Perovskites

    DOE PAGES

    Vorwerk, Christian; Hartmann, Claudia; Cocchi, Caterina; ...

    2018-03-23

    In a combined theoretical and experimental work, we investigate X-ray absorption near-edge structure spectroscopy of the I L 3 and the Pb M 5 edges of the methylammonium lead iodide (MAPbI 3) hybrid inorganic-organic perovskite and its binary phase PbI 2. The absorption onsets are dominated by bound excitons with sizable binding energies of a few hundred millielectronvolts and pronounced anisotropy. The spectra of both materials exhibit remarkable similarities, suggesting that the fingerprints of core excitations in MAPbI 3 are essentially given by its inorganic component, with negligible influence from the organic groups. Furthermore, the theoretical analysis complementing experimental observationsmore » provides the conceptual insights required for a full characterization of this complex material.« less

  2. Depth distributions of light action spectra for skin chromophores

    NASA Astrophysics Data System (ADS)

    Barun, V. V.; Ivanov, A. P.

    2010-03-01

    Light action spectra over wavelengths of 300-1000 nm are calculated for components of the human cutaneous covering: melanin, basal (bloodless) tissue, and blood oxy- and deoxyhemoglobin. The transformation of the spectra with depth in biological tissue results from two factors. The first is the wavelength dependence of the absorption coefficient corresponding to a particular skin chromophore and the second is the spectral selectivity of the radiation flux in biological tissue. This factor is related to the optical properties of all chromophores. A significant change is found to take place in the spectral distribution of absorbed radiant power with increasing depth. The action spectrum of light for the molecular oxygen contained in all components of biological tissue is also studied in the 625-645 nm range. The spectra are found to change with both the volume fraction of blood vessels and the degree of oxygenation of the blood. These results are useful for analyzing processes associated with optical absorption that are possible mechanisms for the interaction of light with biological tissues: photodissociation of oxyhemoglobin and the light-oxygen effect.

  3. The extreme wings of atomic emission and absorption lines. [in low pressure gases

    NASA Technical Reports Server (NTRS)

    Dalgarno, A.; Sando, K. M.

    1973-01-01

    Consideration of the extreme wings of atomic and molecular emission and absorption lines in low pressure gases. Classical and semiclassical results are compared with accurate quantal calculations of the self-broadening of Lyman-alpha in the hydrogen absorption spectrum that arises from quasimolecular transition. The results of classical, quantal, and semiclassical calculations of the absorption coefficient in the red wing are shown for temperatures of 500, 200, and 100 K. The semiclassical and quantal spectra agree well in shape at 500 K. Various other findings are discused.

  4. Doppler Broadening and its Contribution to Compton Energy-Absorption Cross Sections: An Analysis of the Compton Component in Terms of Mass-Energy Absorption Coefficient

    NASA Astrophysics Data System (ADS)

    Rao, D. V.; Takeda, T.; Itai, Y.; Akatsuka, T.; Cesareo, R.; Brunetti, A.; Gigante, G. E.

    2002-09-01

    Compton energy absorption cross sections are calculated using the formulas based on a relativistic impulse approximation to assess the contribution of Doppler broadening and to examine the Compton profile literature and explore what, if any, effect our knowledge of this line broadening has on the Compton component in terms of mass-energy absorption coefficient. Compton energy-absorption cross sections are evaluated for all elements, Z=1-100, and for photon energies 1 keV-100 MeV. Using these cross sections, the Compton component of the mass-energy absorption coefficient is derived in the energy region from 1 keV to 1 MeV for all the elements Z=1-100. The electron momentum prior to the scattering event should cause a Doppler broadening of the Compton line. The momentum resolution function is evaluated in terms of incident and scattered photon energy and scattering angle. The overall momentum resolution of each contribution is estimated for x-ray and γ-ray energies of experimental interest in the angular region 1°-180°. Also estimated is the Compton broadening using nonrelativistic formula in the angular region 1°-180°, for 17.44, 22.1, 58.83, and 60 keV photons for a few elements (H, C, N, O, P, S, K, and Ca) of biological importance.

  5. Hyperspectral absorption and backscattering coefficients of bulk water retrieved from a combination of remote-sensing reflectance and attenuation coefficient.

    PubMed

    Lin, Junfang; Lee, Zhongping; Ondrusek, Michael; Liu, Xiaohan

    2018-01-22

    Absorption (a) and backscattering (bb) coefficients play a key role in determining the light field; they also serve as the link between remote sensing and concentrations of optically active water constituents. Here we present an updated scheme to derive hyperspectral a and bb with hyperspectral remote-sensing reflectance (Rrs) and diffuse attenuation coefficient (Kd) as the inputs. Results show that the system works very well from clear open oceans to highly turbid inland waters, with an overall difference less than 25% between these retrievals and those from instrument measurements. This updated scheme advocates the measurement and generation of hyperspectral a and bb from hyperspectral Rrs and Kd, as an independent data source for cross-evaluation of in situ measurements of a and bb and for the development and/or evaluation of remote sensing algorithms for such optical properties.

  6. Large nonlinear absorption and refraction coefficients of carbon nanotubes estimated from femtosecond z-scan measurements

    NASA Astrophysics Data System (ADS)

    Kamaraju, N.; Kumar, Sunil; Sood, A. K.; Guha, Shekhar; Krishnamurthy, Srinivasan; Rao, C. N. R.

    2007-12-01

    Nonlinear transmission of 80 and 140fs pulsed light with 0.79μm wavelength through single walled carbon nanotubes suspended in water containing sodium dodecyl sulfate is studied. Pulse-width independent saturation absorption and negative cubic nonlinearity are observed, respectively, in open and closed aperture z-scan experiments. The theoretical expressions derived to analyze the z-dependent transmission in the saturable limit require two photon absorption coefficient β0˜1.4cm/MW and a nonlinear index γ ˜-5.5×10-11cm2/W to fit the data.

  7. IR absorption and surface-enhanced Raman spectra of the isoquinoline alkaloid berberine

    NASA Astrophysics Data System (ADS)

    Strekal', N. D.; Motevich, I. G.; Nowicky, J. W.; Maskevich, S. A.

    2007-01-01

    We present the IR absorption and surface-enhanced Raman scattering (SERS) spectra of the isoquinoline alkaloid berberine adsorbed on a silver hydrosol and on the surface of a silver electrode for different potentials. Based on quantum chemical calculations, for the first time we have assigned the vibrations in the berberine molecule according to vibrational mode. The effect of the potential of the silver electrode on the geometry of sorption of the molecule on the surface is considered, assuming a short-range mechanism for enhancement of Raman scattering.

  8. Application of support vector machine method for the analysis of absorption spectra of exhaled air of patients with broncho-pulmonary diseases

    NASA Astrophysics Data System (ADS)

    Bukreeva, Ekaterina B.; Bulanova, Anna A.; Kistenev, Yury V.; Kuzmin, Dmitry A.; Tuzikov, Sergei A.; Yumov, Evgeny L.

    2014-11-01

    The results of the joint use of laser photoacoustic spectroscopy and chemometrics methods in gas analysis of exhaled air of patients with respiratory diseases (chronic obstructive pulmonary disease, pneumonia and lung cancer) are presented. The absorption spectra of exhaled breath of all volunteers were measured, the classification methods of the scans of the absorption spectra were applied, the sensitivity/specificity of the classification results were determined. It were obtained a result of nosological in pairs classification for all investigated volunteers, indices of sensitivity and specificity.

  9. Mean absorption coefficients of He/Ar/N2/(C1-x-y , Ni x , Co y ) thermal plasmas for CNT synthesis

    NASA Astrophysics Data System (ADS)

    Salem, D.; Hannachi, R.; Cressault, Y.; Teulet, Ph; Béji, L.

    2017-01-01

    In this paper, we present the mean absorption coefficients (MACs) calculated for plasma mixtures of argon-helium-nitrogen-carbon-nickel-cobalt at 60 kPa and in a temperature range from 1 kK to 20 kK. These coefficients have been computed under the assumption of a local thermodynamic equilibrium (LTE), isothermal plasma, including atomic and molecular continuum, molecular bands and lines radiation splitted into nine spectral intervals. The results show that the continuum absorption coefficients strongly depend on photodissociation and photoionization processes of the molecular species N2, CN and C2, with a significant effect on photodetachment processes of C- in a frequency interval lower than 1  ×  1015 Hz and for low temperature (<6 kK). While at high temperature, the main contribution in continuum absorption coefficient comes from radiative recombination processes except in the infrared region (<0.5  ×  1015 Hz) where the inverse bremsstrahlung represents the most important component in continuum processes for all temperature values. On the other hand, the calculation of MAC shows that the role of molecular continuum, molecular bands and line absorption of the neutral catalysis species Ni/Co are only important in a small range of temperature and in a few spectral bands located in visible and infrared regions, while at high temperature and in UV and visible regions, the foremost contributions to MAC come from atomic continuum and line absorption.

  10. Laboratory investigation on the role of tubular shaped micro resonators phononic crystal insertion on the absorption coefficient of profiled sound absorber

    NASA Astrophysics Data System (ADS)

    Yahya, I.; Kusuma, J. I.; Harjana; Kristiani, R.; Hanina, R.

    2016-02-01

    This paper emphasizes the influence of tubular shaped microresonators phononic crystal insertion on the sound absorption coefficient of profiled sound absorber. A simple cubic and two different bodies centered cubic phononic crystal lattice model were analyzed in a laboratory test procedure. The experiment was conducted by using transfer function based two microphone impedance tube method refer to ASTM E-1050-98. The results show that sound absorption coefficient increase significantly at the mid and high-frequency band (600 - 700 Hz) and (1 - 1.6 kHz) when tubular shaped microresonator phononic crystal inserted into the tested sound absorber element. The increment phenomena related to multi-resonance effect that occurs when sound waves propagate through the phononic crystal lattice model that produce multiple reflections and scattering in mid and high-frequency band which increases the sound absorption coefficient accordingly

  11. Electronic and nuclear contributions to time-resolved optical and X-ray absorption spectra of hematite and insights into photoelectrochemical performance

    DOE PAGES

    Hayes, Dugan; Hadt, Ryan G.; Emery, Jonathan D.; ...

    2016-11-02

    Ultrafast time-resolved studies of photocatalytic thin films can provide a wealth of information crucial for understanding and thereby improving the performance of these materials by directly probing electronic structure, reaction intermediates, and charge carrier dynamics. The interpretation of transient spectra, however, can be complicated by thermally induced structural distortions, which appear within the first few picoseconds following excitation due to carrier–phonon scattering. Here we present a comparison of ex situ steady-state thermal difference spectra and transient absorption spectra spanning from NIR to hard X-ray energies of hematite thin films grown by atomic layer deposition. We find that beyond the firstmore » 100 picoseconds, the transient spectra measured for all excitation wavelengths and probe energies are almost entirely due to thermal effects as the lattice expands in response to the ultrafast temperature jump and then cools to room temperature on the microsecond timescale. At earlier times, a broad excited state absorption band that is assigned to free carriers appears at 675 nm, and the lifetime and shape of this feature also appear to be mostly independent of excitation wavelength. The combined spectroscopic data, which are modeled with density functional theory and full multiple scattering calculations, support an assignment of the optical absorption spectrum of hematite that involves two LMCT bands that nearly span the visible spectrum. Lastly, our results also suggest a framework for shifting the ligand-to-metal charge transfer absorption bands of ferric oxide films from the near-UV further into the visible part of the solar spectrum to improve solar conversion efficiency.« less

  12. Self-interaction-corrected time-dependent density-functional-theory calculations of x-ray-absorption spectra

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Tu, Guangde; Rinkevicius, Zilvinas; Vahtras, Olav

    We outline an approach within time-dependent density functional theory that predicts x-ray spectra on an absolute scale. The approach rests on a recent formulation of the resonant-convergent first-order polarization propagator [P. Norman et al., J. Chem. Phys. 123, 194103 (2005)] and corrects for the self-interaction energy of the core orbital. This polarization propagator approach makes it possible to directly calculate the x-ray absorption cross section at a particular frequency without explicitly addressing the excited-state spectrum. The self-interaction correction for the employed density functional accounts for an energy shift of the spectrum, and fully correlated absolute-scale x-ray spectra are thereby obtainedmore » based solely on optimization of the electronic ground state. The procedure is benchmarked against experimental spectra of a set of small organic molecules at the carbon, nitrogen, and oxygen K edges.« less

  13. Control of optical bandgap energy and optical absorption coefficient by geometric parameters in sub-10 nm silicon-nanodisc array structure

    NASA Astrophysics Data System (ADS)

    Fairuz Budiman, Mohd; Hu, Weiguo; Igarashi, Makoto; Tsukamoto, Rikako; Isoda, Taiga; Itoh, Kohei M.; Yamashita, Ichiro; Murayama, Akihiro; Okada, Yoshitaka; Samukawa, Seiji

    2012-02-01

    A sub-10 nm, high-density, periodic silicon-nanodisc (Si-ND) array has been fabricated using a new top-down process, which involves a 2D array bio-template etching mask made of Listeria-Dps with a 4.5 nm diameter iron oxide core and damage-free neutral-beam etching (Si-ND diameter: 6.4 nm). An Si-ND array with an SiO2 matrix demonstrated more controllable optical bandgap energy due to the fine tunability of the Si-ND thickness and diameter. Unlike the case of shrinking Si-ND thickness, the case of shrinking Si-ND diameter simultaneously increased the optical absorption coefficient and the optical bandgap energy. The optical absorption coefficient became higher due to the decrease in the center-to-center distance of NDs to enhance wavefunction coupling. This means that our 6 nm diameter Si-ND structure can satisfy the strict requirements of optical bandgap energy control and high absorption coefficient for achieving realistic Si quantum dot solar cells.

  14. Effect of the concentration of magnetic grains on the linear-optical-absorption coefficient of ferrofluid-doped lyotropic mesophases: deviation from the Beer-Lambert law.

    PubMed

    Cuppo, F L S; Gómez, S L; Figueiredo Neto, A M

    2004-04-01

    In this paper is reported a systematic experimental study of the linear-optical-absorption coefficient of ferrofluid-doped isotropic lyotropic mixtures as a function of the magnetic-grains concentration. The linear optical absorption of ferrolyomesophases increases in a nonlinear manner with the concentration of magnetic grains, deviating from the usual Beer-Lambert law. This behavior is associated to the presence of correlated micelles in the mixture which favors the formation of small-scale aggregates of magnetic grains (dimers), which have a higher absorption coefficient with respect to that of isolated grains. We propose that the indirect heating of the micelles via the ferrofluid grains (hyperthermia) could account for this nonlinear increase of the linear-optical-absorption coefficient as a function of the grains concentration.

  15. A Statistical Study of the Southern Fermi Bubble in UV Absorption Spectra

    NASA Astrophysics Data System (ADS)

    Karim, Md. Tanveer; Fox, Andrew; Jenkins, Edward; Bordoloi, Rongmon; Wakker, Bart; Savage, Blair D.; Lockman, Felix; Crawford, Steve; Bland-Hawthorn, Joss; Jorgenson, Regina A.

    2018-01-01

    The Fermi Bubbles are two giant lobes of plasma situated at the center of the Milky Way, extending 55° above and below the Galactic Midplane. Although the Bubbles have been widely studied in multiple wavelengths, few studies have been done in UV absorption. Here we present a statistical study of the Southern Fermi Bubble using 17 QSO sightlines — 6 inside the Bubble, 11 outside — using UV absorption spectra from the Hubble Space Telescope Cosmic Origins Spectrograph (HST/COS). We searched for high-velocity clouds (HVCs) in 11 metal lines from ions of Aluminium, Carbon and Silicon. We detected HVCs in 83% of the sightlines inside the Bubble and 64% outside the Bubble, showing an enhancement in the covering fraction of HVCs in the Southern Bubble region. We also observed a decrease in vLSR of the HVCs as a function of the galactic latitude, consistent with a scenario where the identified HVCs trace the Galactic nuclear outflow, as sightlines closer to the central engine are expected to show a higher velocity. Combined with previous studies, our analysis indicates that the Southern Fermi Bubble is a dynamic environment giving rise to complex absorption features.

  16. Identifying Student and Teacher Difficulties in Interpreting Atomic Spectra Using a Quantum Model of Emission and Absorption of Radiation

    ERIC Educational Resources Information Center

    Savall-Alemany, Francisco; Domènech-Blanco, Josep Lluís; Guisasola, Jenaro; Martínez-Torregrosa, Joaquín

    2016-01-01

    Our study sets out to identify the difficulties that high school students, teachers, and university students encounter when trying to explain atomic spectra. To do so, we identify the key concepts that any quantum model for the emission and absorption of electromagnetic radiation must include to account for the gas spectra and we then design two…

  17. Impact of pentacene film thickness on the photoresponse spectra: Determination of the photocarrier generation mechanism

    NASA Astrophysics Data System (ADS)

    Gorgolis, S.; Giannopoulou, A.; Anastassopoulos, D.; Kounavis, P.

    2012-07-01

    Photocurrent response, optical absorption, and x-ray diffraction (XRD) measurements in pentacene films grown on glass substrates are performed in order to obtain an insight into the mobile photocarriers generation mechanism. For film thickness of the order of 50 nm and lower, the photocurrent response spectra are found to follow the optical absorption spectra demonstrating the so-called symbatic response. Upon increasing the film thickness, the photoresponse demonstrates a transition to the so-called antibatic response, which is characterized by a maximum and minimum photocurrent for photon energies of minimum and maximum optical absorption, respectively. The experimental results are not in accordance with the model of important surface recombination rate. By taking into account the XRD patterns, the experimental photoresponse spectra can be reproduced by model simulations assuming efficient exciton dissociation at a narrow layer of the order of 20 nm near the pentacene-substrate interface. The simulated spectra are found sensitive to the film thickness, the absolute optical absorption coefficient, and the diffusion exciton length. By comparing the experimental with the simulated spectra, it is deduced that the excitons, which are created by optical excitation in the spectral region of 1.7-2.2 eV, diffuse with a diffusion length of the order of 10-80 nm to the pentacene-substrate interface where efficiently dissociate into mobile charge carriers.

  18. VizieR Online Data Catalog: Sgr B2 los molecular absorption line spectra (Corby+, 2018)

    NASA Astrophysics Data System (ADS)

    Corby, J. F.; McGuire, B. A.; Herbst, E.; Remijan, A. J.

    2017-11-01

    Spectra covering transitions of c-C3H2, c-H1 SO, CCS, H2CS, HCS+, OH, SiO, 29SiO, H2CO, H2(13C)O, l-C3H, and l-C3H+ with line-of-sight absorption observed in the 1-50 GHz data from the PRebiotic Interstellar MOlecular Survey (PRIMOS) taken with the Robert C. Byrd Green Bank Telescope (GBT). Data were observed between 2001 and 2014, with the majority of the data obtained in 2007 in GBT Key Science project ID GBT07A-051. Spectra have been baseline-subtracted using best fit polynomials as described in the paper, and normalized by the continuum, so that the y-axis represents (T/TC-1). Data are provided in the FITS format; each FITS file contains all lines of a single molecule that are observed to have foreground absorption. Please refer to Table 1 of the paper to obtain molecular transition rest frequencies, energies, GBT beam sizes, and transition quantum numbers. (2 data files).

  19. Compact characterization of liquid absorption and emission spectra using linear variable filters integrated with a CMOS imaging camera

    PubMed Central

    Wan, Yuhang; Carlson, John A.; Kesler, Benjamin A.; Peng, Wang; Su, Patrick; Al-Mulla, Saoud A.; Lim, Sung Jun; Smith, Andrew M.; Dallesasse, John M.; Cunningham, Brian T.

    2016-01-01

    A compact analysis platform for detecting liquid absorption and emission spectra using a set of optical linear variable filters atop a CMOS image sensor is presented. The working spectral range of the analysis platform can be extended without a reduction in spectral resolution by utilizing multiple linear variable filters with different wavelength ranges on the same CMOS sensor. With optical setup reconfiguration, its capability to measure both absorption and fluorescence emission is demonstrated. Quantitative detection of fluorescence emission down to 0.28 nM for quantum dot dispersions and 32 ng/mL for near-infrared dyes has been demonstrated on a single platform over a wide spectral range, as well as an absorption-based water quality test, showing the versatility of the system across liquid solutions for different emission and absorption bands. Comparison with a commercially available portable spectrometer and an optical spectrum analyzer shows our system has an improved signal-to-noise ratio and acceptable spectral resolution for discrimination of emission spectra, and characterization of colored liquid’s absorption characteristics generated by common biomolecular assays. This simple, compact, and versatile analysis platform demonstrates a path towards an integrated optical device that can be utilized for a wide variety of applications in point-of-use testing and point-of-care diagnostics. PMID:27389070

  20. Long-Range Chemical Sensitivity in the Sulfur K-Edge X-ray Absorption Spectra of Substituted Thiophenes

    PubMed Central

    2015-01-01

    Thiophenes are the simplest aromatic sulfur-containing compounds and are stable and widespread in fossil fuels. Regulation of sulfur levels in fuels and emissions has become and continues to be ever more stringent as part of governments’ efforts to address negative environmental impacts of sulfur dioxide. In turn, more effective removal methods are continually being sought. In a chemical sense, thiophenes are somewhat obdurate and hence their removal from fossil fuels poses problems for the industrial chemist. Sulfur K-edge X-ray absorption spectroscopy provides key information on thiophenic components in fuels. Here we present a systematic study of the spectroscopic sensitivity to chemical modifications of the thiophene system. We conclude that while the utility of sulfur K-edge X-ray absorption spectra in understanding the chemical composition of sulfur-containing fossil fuels has already been demonstrated, care must be exercised in interpreting these spectra because the assumption of an invariant spectrum for thiophenic forms may not always be valid. PMID:25116792

  1. The origin of absorptive features in the two-dimensional electronic spectra of rhodopsin.

    PubMed

    Farag, Marwa H; Jansen, Thomas L C; Knoester, Jasper

    2018-05-09

    In rhodopsin, the absorption of a photon causes the isomerization of the 11-cis isomer of the retinal chromophore to its all-trans isomer. This isomerization is known to occur through a conical intersection (CI) and the internal conversion through the CI is known to be vibrationally coherent. Recently measured two-dimensional electronic spectra (2DES) showed dramatic absorptive spectral features at early waiting times associated with the transition through the CI. The common two-state two-mode model Hamiltonian was unable to elucidate the origin of these features. To rationalize the source of these features, we employ a three-state three-mode model Hamiltonian where the hydrogen out-of plane (HOOP) mode and a higher-lying electronic state are included. The 2DES of the retinal chromophore in rhodopsin are calculated and compared with the experiment. Our analysis shows that the source of the observed features in the measured 2DES is the excited state absorption to a higher-lying electronic state and not the HOOP mode.

  2. Substituent and solvent effects on the UV/vis absorption spectra of 5-(3- and 4-substituted arylazo)-4,6-dimethyl-3-cyano-2-pyridones

    NASA Astrophysics Data System (ADS)

    Mijin, Dušan Ž.; Ušćumlić, Gordana S.; Perišić-Janjić, Nada U.; Valentić, Nataša V.

    2006-01-01

    Absorption spectra of seventeen 5-(3- and 4-substituted arylazo)-4,6-dimethyl-3-cyano-2-pyridones have been recorded in 12 protic and aprotic solvents in the range 200-600 nm. The effects of substituents on the absorption spectra of these new azo dyes are interpreted by correlation of absorption frequencies with Hammett equation. The solute-solvent interactions were clarified on the basis of linear solvation energy relationships concept proposed by Kamlet and Taft. The 2-pyridone/2-hydroxypiridine tautomeric equilibration is found to depend upon substituents as well as on solvents.

  3. The IR Absorption Spectra of Aqueous Solutions of Dimethylsulfoxide over the Frequency Range 50-300 cm-1 and the Mobility of Water Molecules

    NASA Astrophysics Data System (ADS)

    Klemenkova, Z. S.; Novskova, T. A.; Lyashchenko, A. K.

    2008-04-01

    The IR absorption spectra of aqueous solutions of dimethylsulfoxide (DMSO) with concentrations from 100% H2O to 100% DMSO were recorded over the frequency range 50-500 cm-1. The absorption spectra were described using the theoretical scheme of hindered rotators. A model was developed according to which orientation relaxation in solution was related to separate rotations of H2O and DMSO molecules through fixed small and (or) large angles in a unified network of H-bonds consisting of several subsystems ordered to various degrees. The calculated absorption spectra were in agreement with the experimental data in the far IR region. Elementary motions of molecules were found to slow down in the passage from pure dimethylsulfoxide to its aqueous solutions. The special features of the hydrophilic and hydrophobic hydration of DMSO polar and nonpolar groups were considered.

  4. Remarkable optical red shift and extremely high optical absorption coefficient of V-Ga co-doped TiO2

    NASA Astrophysics Data System (ADS)

    Deng, Quanrong; Han, Xiaoping; Gao, Yun; Shao, Guosheng

    2012-07-01

    A first attempt has been made to study the effect of codoping of transition metal and sp metal on the electronic structure and associated optical properties of TiO2, through V-Ga codoped thin films. V-Ga codoped rutile TiO2 films were fabricated on fused quartz substrates using pulsed laser ablation, followed by heat treatment at high temperatures. Gigantic redshift in the optical absorption edge was observed in V-Ga co-doped TiO2 materials, from UV to infrared region with high absorption coefficient. Through combined structural characterization and theoretical modeling, this is attributed to the p-d hybridization between the two metals. This leads to additional energy bands to overlap with the minimum of the conduction band, leading to remarkably narrowed band gap free of mid-gap states. The direct-gap of the co-doped phase is key to the remarkably high optical absorption coefficient of the coped titania.

  5. Carbon X-ray absorption in the local ISM: fingerprints in X-ray Novae spectra

    NASA Astrophysics Data System (ADS)

    Gatuzz, Efraín; Ness, J.-U.; Gorczyca, T. W.; Hasoglu, M. F.; Kallman, Timothy R.; García, Javier A.

    2018-06-01

    We present a study of the C K-edge using high-resolution LETGS Chandra spectra of four novae during their super-soft-source (SSS) phase. We identified absorption lines due to C II Kα, C III Kα and C III Kβ resonances. We used these astronomical observations to perform a benchmarking of the atomic data, which involves wavelength shifts of the resonances and photoionization cross-sections. We used improved atomic data to estimate the C II and C III column densities. The absence of physical shifts for the absorption lines, the consistence of the column densities between multiple observations and the high temperature required for the SSS nova atmosphere modeling support our conclusion about an ISM origin of the respective absorption lines. Assuming a collisional ionization equilibrium plasma the maximum temperature derived from the ratio of C II/C III column densities of the absorbers correspond to Tmax < 3.05 × 104 K.

  6. Investigation of the multiplet features of SrTiO 3 in X-ray absorption spectra based on configuration interaction calculations

    DOE PAGES

    Wu, M.; Xin, Houlin L.; Wang, J. O.; ...

    2018-04-24

    Synchrotron-based L 2,3-edge absorption spectra show strong sensitivities to the local electronic structure and chemical environment. However, detailed physical information cannot be extracted easily without computational aids. Here in this study using the experimental Ti L 2,3-edges absorption spectrum of SrTiO 3as a fingerprint and considering full multiplet effects, calculations yield different energy parameters characterizing local ground state properties. The peak splitting and intensity ratios of the L 3 and L 2 set of peaks are carefully analyzed quantitatively, giving rise to a small hybridization energy around 1.2 eV, and the different hybridization energy values reported in the literature aremore » further addressed. Finally, absorption spectra with different linearly polarized photons under various tetragonal crystal fields are investigated, revealing a non-linear orbital–lattice interaction, and a theoretical guidance for material engineering of SrTiO 3-based thin films and heterostructures is offered. Finally, detailed analysis of spectrum shifts with different tetragonal crystal fields suggests that the e g crystal field splitting is a necessary parameter for a thorough analysis of the spectra, even though it is not relevant for the ground state properties.« less

  7. Investigation of the multiplet features of SrTiO 3 in X-ray absorption spectra based on configuration interaction calculations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wu, M.; Xin, Houlin L.; Wang, J. O.

    Synchrotron-based L 2,3-edge absorption spectra show strong sensitivities to the local electronic structure and chemical environment. However, detailed physical information cannot be extracted easily without computational aids. Here in this study using the experimental Ti L 2,3-edges absorption spectrum of SrTiO 3as a fingerprint and considering full multiplet effects, calculations yield different energy parameters characterizing local ground state properties. The peak splitting and intensity ratios of the L 3 and L 2 set of peaks are carefully analyzed quantitatively, giving rise to a small hybridization energy around 1.2 eV, and the different hybridization energy values reported in the literature aremore » further addressed. Finally, absorption spectra with different linearly polarized photons under various tetragonal crystal fields are investigated, revealing a non-linear orbital–lattice interaction, and a theoretical guidance for material engineering of SrTiO 3-based thin films and heterostructures is offered. Finally, detailed analysis of spectrum shifts with different tetragonal crystal fields suggests that the e g crystal field splitting is a necessary parameter for a thorough analysis of the spectra, even though it is not relevant for the ground state properties.« less

  8. Nonlinear optical and electroabsorption spectra of polydiacetylene crystals and films

    NASA Astrophysics Data System (ADS)

    Mukhopadhyay, D.; Soos, Z. G.

    1996-01-01

    Vibronic structure of nonlinear optical (NLO) coefficients is developed within the Condon approximation, displaced harmonic oscillators, and crude adiabatic states. The displacements of backbone modes of conjugated polymers are taken from vibrational data on the ground and 1B excited state. NLO resonances are modeled by three excitations and transition moments taken from Pariser-Parr-Pople (PPP) theory and optimized to polydiacetylene (PDA) spectra in crystals and films, with blue-shifted 1B exciton. The joint analysis of third-harmonic-generation, two-photon absorption, and nondegenerate four-wave-mixing spectra of PDA crystals and films shows weak two-photon absorption to 2A below 1B, leading to overlapping resonances in the THG spectrum, strong two-photon absorption to an nA state some 35% above 1B, and weak Raman resonances in nondegenerate FWM spectra. The full π-π* spectrum contributes to Stark shifts and field-induced transitions, as shown by PPP results for PDA oligomers. The Stark shift dominates high-resolution electroabsorption (EA) spectra of PDA crystals below 10 K. The close correspondence between EA and the first-derivative I'(ω) of the linear absorption above the 1B exciton in PDA crystals provides an experimental separation of vibrational and electronic contributions that limits any even-parity state in this 0.5 eV interval. An oscillator-strength sum rule is applied to the convergence of PDA oligomers with increasing length, N, and the crystal oscillator strengths are obtained without adjustable parameters. The sum rule for the 1B exciton implies large transition moments to higher-energy Ag states, whose locations in recent models are contrasted to PPP results. Joint analysis of NLO and EA spectra clarifies when a few electronic excitations are sufficient, distinguishes between vibrational and electronic contributions, and supports similar π-electron interactions in conjugated molecules and polymers.

  9. Influence of polarity of solvents on IR absorption and Raman spectra of ascorbic acid

    NASA Astrophysics Data System (ADS)

    Kutsenko, S. A.; Danyaeva, Y. S.; Maximova, S. V.

    2018-04-01

    The results of numerical calculations of IR absorption and Raman spectra of ascorbic acid in polar and nonpolar solutions are presented. The dependence of the change in the total energy and the dipole moment of the molecule on the characteristics of the solvents was investigated using the two solvation models. Spectral bands and the corresponding structural groups of the molecule are found, the characteristics of which are most vulnerable to solvents.

  10. One- and two-photon absorption spectra of the yellow fluorescent protein citrine: effects of intramolecular electron-vibrational coupling and intermolecular interactions

    NASA Astrophysics Data System (ADS)

    Chen, Fasheng; Zhao, Xinyi; Liang, WanZhen

    2018-04-01

    Both the vibrationally resolved and statistically averaged one-photon absorption (OPA) and two-photon absorption (TPA) spectra of the anionic form of chromophore (AC) in its micro-environment of yellow fluorescent protein (YFP) Citrine have been calculated. The result comparison has been made with those of the AC model compounds in vacuo and methanol solution, which allows us to allocate the individual contribution of the intramolecular electron-vibrational coupling, the electrostatic π-stacking interaction between Tyr203 and AC, and the interaction between AC and its micro-environment to the spectra. The results reveal that the non-Condon vibronic coupling effect is responsible for the blue shift of TPA absorption maximum compared with its OPA counterpart corresponding to S0 → S1, and that the π-stacking interaction between Tyr203 and AC alters the relative intensities of TPA maxima, which further enhances the higher-energy vibronic peaks and weakens the lowest-energy peak. The statically averaged OPA and TPA spectra calculated by quantum mechanics/molecular mechanics (QM/MM) methods based on Born-Oppenheimer molecular dynamics simulation largely deviate the experimental spectral lineshapes, which further verifies the significant contribution of non-Condon vibronic coupling effect on the spectra. The interaction of individual amino acid residue or water close to AC+Tyr203 has different effects on the spectra, which may increase/decrease the excitation energy depending on its position and electronic property.

  11. Absorption and electroabsorption spectra of carotenoid cation radical and dication

    NASA Astrophysics Data System (ADS)

    Krawczyk, Stanisław

    1998-05-01

    Radical cations and dications of two carotenoids astaxanthin and canthaxanthin were prepared by oxidation with FeCl 3 in fluorinated alcohols at room temperature. Absorption and electroabsorption (Stark effect) spectra were recorded for astaxanthin cations in mixed frozen matrices at temperatures about 160 K. The D 0→D 2 transition in cation radical is at 835 nm. The electroabsorption spectrum for the D 0→D 2 transition exhibits a negative change of molecular polarizability, Δ α=-1.2·10 -38 C·m 2/V (-105 A 3), which seems to originate from the change in bond order alternation in the ground state rather than from the electric field-induced interaction of D 1 and D 2 excited states. Absorption spectrum of astaxanthin dication is located at 715-717 nm, between those of D 0→D 2 in cation radical and S 0→S 2 in neutral carotenoid. Its shape reflects a short vibronic progression and strong inhomogeneous broadening. The polarizability change on electronic excitation, Δ α=2.89·10 -38 C·m 2/V (260 A 3), is five times smaller than in neutral astaxanthin. This value reflects the larger energetic distance from the lowest excited state to the higher excited states than in the neutral molecule.

  12. Optical absorption spectra of substitutional Co2+ ions in Mgx Cd1-x Se alloys

    NASA Astrophysics Data System (ADS)

    Jin, Moon-Seog; Kim, Chang-Dae; Jang, Kiwan; Park, Sang-An; Kim, Duck-Tae; Kim, Hyung-Gon; Kim, Wha-Tek

    2006-09-01

    Optical absorption spectra of substitutional Co2+ ions in Mgx Cd1-x Se alloys were investigated in the composition region of 0.0 x 0.4 and in the wavelength region of 300 to 2500 nm at 4.8 K and 290 K. We observed several absorption bands in the wavelength regions corresponding to the 4A2(4F) 4T1(4P) transition and the 4A2(4F) 4T1(4F) transition of Co2+ at a tetrahedral Td point symmetry point in the host crystals, as well as unknown absorption bands. The several absorption bands were analyzed in the framework of the crystal-field theory along with the second-order spin-orbit coupling. The unknown absorption bands were assigned as due to phonon-assisted absorption bands. We also investigated the variations of the crystal-field parameter Dq and the Racah parameter B with composition x in the Mgx Cd1-x Se system. The results showed that the crystal-field parameter (Dq ) increases, on the other hand, the Racah parameter (B ) decreases with increasing composition x, which may be connected with an increase in the covalency of the metal-ligand bond with increasing composition x in the Mgx Cd1-x Se system.

  13. Measurement of the mass energy-absorption coefficient of air for x-rays in the range from 3 to 60 keV.

    PubMed

    Buhr, H; Büermann, L; Gerlach, M; Krumrey, M; Rabus, H

    2012-12-21

    For the first time the absolute photon mass energy-absorption coefficient of air in the energy range of 10 to 60 keV has been measured with relative standard uncertainties below 1%, considerably smaller than those of up to 2% assumed for calculated data. For monochromatized synchrotron radiation from the electron storage ring BESSY II both the radiant power and the fraction of power deposited in dry air were measured using a cryogenic electrical substitution radiometer and a free air ionization chamber, respectively. The measured absorption coefficients were compared with state-of-the art calculations and showed an average deviation of 2% from calculations by Seltzer. However, they agree within 1% with data calculated earlier by Hubbell. In the course of this work, an improvement of the data analysis of a previous experimental determination of the mass energy-absorption coefficient of air in the range of 3 to 10 keV was found to be possible and corrected values of this preceding study are given.

  14. Unexpected solvent effects on the UV/Vis absorption spectra of o-cresol in toluene and benzene: in contrast with non-aromatic solvents

    PubMed Central

    Zheng, Dong; Yuan, Xiang-Ai; Ma, Haibo; Li, Xiaoxiong; Wang, Xizhang; Liu, Ziteng

    2018-01-01

    Cresol is a prototype molecule in understanding intermolecular interactions in material and biological systems, because it offers different binding sites with various solvents and protonation states under different pH values. It is found that the UV/Vis absorption spectra of o-cresol in aromatic solvents (benzene, toluene) are characterized by a sharp peak, unlike the broad double-peaks in 11 non-aromatic solvents. Both molecular dynamics simulations and electronic structure calculations revealed the formation of intermolecular π-complexation between o-cresol and aromatic solvents. The thermal movements of solvent and solute molecules render the conformations of o-cresol changing between trans and cis isomers. The π-interaction makes the cis configuration a dominant isomer, hence leading to the single keen-edged UV/Vis absorption peak at approximately 283 nm. The free conformation changes between trans and cis in aqueous solution rationalize the broader absorption peaks in the range of 260–280 nm. The pH dependence of the UV/Vis absorption spectra in aqueous solutions is also rationalized by different protonation states of o-cresol. The explicit solvent model with long-ranged interactions is vital to describe the effects of π-complexation and electrostatic interaction on the UV/Vis absorption spectra of o-cresol in toluene and alkaline aqueous (pH > 10.3) solutions, respectively. PMID:29657794

  15. Unexpected solvent effects on the UV/Vis absorption spectra of o-cresol in toluene and benzene: in contrast with non-aromatic solvents.

    PubMed

    Zheng, Dong; Yuan, Xiang-Ai; Ma, Haibo; Li, Xiaoxiong; Wang, Xizhang; Liu, Ziteng; Ma, Jing

    2018-03-01

    Cresol is a prototype molecule in understanding intermolecular interactions in material and biological systems, because it offers different binding sites with various solvents and protonation states under different pH values. It is found that the UV/Vis absorption spectra of o -cresol in aromatic solvents (benzene, toluene) are characterized by a sharp peak, unlike the broad double-peaks in 11 non-aromatic solvents. Both molecular dynamics simulations and electronic structure calculations revealed the formation of intermolecular π-complexation between o -cresol and aromatic solvents. The thermal movements of solvent and solute molecules render the conformations of o -cresol changing between trans and cis isomers. The π-interaction makes the cis configuration a dominant isomer, hence leading to the single keen-edged UV/Vis absorption peak at approximately 283 nm. The free conformation changes between trans and cis in aqueous solution rationalize the broader absorption peaks in the range of 260-280 nm. The pH dependence of the UV/Vis absorption spectra in aqueous solutions is also rationalized by different protonation states of o -cresol. The explicit solvent model with long-ranged interactions is vital to describe the effects of π-complexation and electrostatic interaction on the UV/Vis absorption spectra of o -cresol in toluene and alkaline aqueous (pH > 10.3) solutions, respectively.

  16. Predicting the Shifts of Absorption Maxima of Azulene Derivatives Using Molecular Modeling and ZINDO CI Calculations of UV-Vis Spectra

    ERIC Educational Resources Information Center

    Patalinghug, Wyona C.; Chang, Maharlika; Solis, Joanne

    2007-01-01

    The deep blue color of azulene is drastically changed by the addition of substituents such as CH[subscript 3], F, or CHO. Computational semiempirical methods using ZINDO CI are used to model azulene and azulene derivatives and to calculate their UV-vis spectra. The calculated spectra are used to show the trends in absorption band shifts upon…

  17. Air- and N2-Broadening Coefficients and Pressure-Shift Coefficients in the C-12(O2-16) Laser Bands

    NASA Technical Reports Server (NTRS)

    Devi, V. Malathy; Benner, D. Chris; Smith, Mary Ann H.; Rinsland, Curtis P.

    1998-01-01

    In this paper we report the pressure broadening and the pressure-induced line shift coefficients for 46 individual rovibrational lines in both the (12)C(16)O2, 00(sup 0)1-(10(sup 0)0-02(sup 0)0)I, and 00(sup 0)1-(10(sup 0)0-02(sup 0)0)II, laser bands (laser band I centered at 960.959/cm and laser band II centered at 1063.735/cm) determined from spectra recorded with the McMath-Pierce Fourier transform spectrometer. The results were obtained from analysis of 10 long-path laboratory absorption spectra recorded at room temperature using a multispectrum nonlinear least-squares technique. Pressure effects caused by both air and nitrogen have been investigated. The air-broadening coefficients determined in this study agree well with the values in the 1996 HITRAN database; ratios and standard deviations of the ratios of the present air-broadening measurements to the 1996 HITRAN values for the two laser bands are: 1.005(15) for laser band I and 1.005(14) for laser band II. Broadening by nitrogen is 3 to 4% larger than that of air. The pressure-induced line shift coefficients are found to be transition dependent and different for the P- and R-branch lines with same J" value. No noticeable differences in the shift coefficients caused by air and nitrogen were found. The results obtained are compared with available values previously reported in the literature.

  18. Model based recovery of histological parameters starting from reflectance spectra of the colon

    NASA Astrophysics Data System (ADS)

    Hidovic-Rowe, Dzena; Claridge, Ela

    2005-06-01

    Colon cancer alters the tissue macro-architecture. Changes include increase in blood content and distortion of the collagen matrix, which affect the reflectance spectra of the colon and its colouration. We have developed a physics-based model for predicting colon tissue spectra. The colon structure is represented by three layers: mucosa, submucosa and smooth muscle. Each layer is represented by parameters defining its optical properties: molar concentration and absorption coefficients of haemoglobins, describing absorption of light; size and density of collagen fibres; refractive index of the medium and collagen fibres, describing light scattering; and layer thicknesses. Spectra were calculated using the Monte Carlo method. The output of the model was compared to experimental data comprising 50 spectra acquired in vivo from normal tissue. The extracted histological parameters showed good agreement with known values. An experiment was carried out to study the differences between normal and abnormal tissue. These were characterised by increased blood content and decreased collagen density, which is consistent with known differences between normal and abnormal tissue. This suggests that histological quantities of the colon could be computed from its reflectance spectra. The method is likely to have diagnostic value in the early detection of colon cancer.

  19. Wavelet based de-noising of breath air absorption spectra profiles for improved classification by principal component analysis

    NASA Astrophysics Data System (ADS)

    Kistenev, Yu. V.; Shapovalov, A. V.; Borisov, A. V.; Vrazhnov, D. A.; Nikolaev, V. V.; Nikiforova, O. Yu.

    2015-11-01

    The comparison results of different mother wavelets used for de-noising of model and experimental data which were presented by profiles of absorption spectra of exhaled air are presented. The impact of wavelets de-noising on classification quality made by principal component analysis are also discussed.

  20. The P K-near edge absorption spectra of phosphates

    NASA Astrophysics Data System (ADS)

    Franke, R.; Hormes, J.

    1995-12-01

    The X-ray absorption near edge structure (XANES) at the P K-edge in several orthophosphates with various cations, in condensed, and in substituted sodium phosphates have been measured using synchrotron radiation from the ELSA storage ring at the University of Bonn. The measured spectra demonstrate that chemical changes beyond the PO 4- tetrahedra are reflected by energy shifts of the pre-edge and continuum resonances, by the presence of characteristic shoulders and new peaks and by differences in the intensity of the white line. We discuss the energy differences between the white line positions and the corresponding P ls binding energies as a measure of half of the energy gap. The corresponding values correlate with the valence of the cations and the intensity of the white lines. The energy positions of the continuum resonances are discussed on the basis of an empirical bond-length correlation supporting a 1/ r2 - dependence.

  1. Temperature dependence of the hydrogen-broadening coefficient for the nu 9 fundamental of ethane

    NASA Technical Reports Server (NTRS)

    Halsey, G. W.; Hillman, J. J.; Nadler, Shacher; Jennings, D. E.

    1988-01-01

    Experimental results for the temperature dependence of the H2-broadening coefficient for the nu 9 fundamental of ethane are reported. Measurements were made over the temperature range 95-300 K using a novel low-temperature absorption cell. These spectra were recorded with the Doppler-limited diode laser spectrometer at NASA Goddard. The results are compared with recent measurements and model predictions.

  2. Substituent and solvent effects on the UV/Vis absorption spectra of 5-(4-substituted arylazo)-6-hydroxy-4-methyl-3-cyano-2-pyridones

    NASA Astrophysics Data System (ADS)

    Ušćumlić, Gordana S.; Mijin, Dusanˇ Z. ˇ; Valentić, Nataša V.; Vajs, Vlatka V.; Sušić, Biljana M.

    2004-10-01

    Absorption spectra of ten 5-(4-substituted arylazo)-6-hydroxy-4-methyl-3-cyano-2-pyridones have been recorded in fifteen solvents in the range 200-600 nm. The substituents at the phenyl nucleus are as follows: OH, OCH 3, CH 3, C 2H 5, H, Cl, Br, I, COOH and NO 2. The effects of substituents on the absorption spectra of investigated compounds are interpreted by correlation of absorption frequencies with simple Hammett equation. The effects of solvent polarity and solvent/solute hydrogen bonding interactions are analyzed by means of linear solvation energy relationships concept proposed by Kamlet and Taft. The azo-hydrazone tuatomeric equilibration is found to depend upon substituents as well as on solvents.

  3. Artifact suppression in electron paramagnetic resonance imaging of 14N- and 15N-labeled nitroxyl radicals with asymmetric absorption spectra

    NASA Astrophysics Data System (ADS)

    Takahashi, Wataru; Miyake, Yusuke; Hirata, Hiroshi

    2014-10-01

    This article describes an improved method for suppressing image artifacts in the visualization of 14N- and 15N-labeled nitroxyl radicals in a single image scan using electron paramagnetic resonance (EPR). The purpose of this work was to solve the problem of asymmetric EPR absorption spectra in spectral processing. A hybrid function of Gaussian and Lorentzian lineshapes was used to perform spectral line-fitting to successfully separate the two kinds of nitroxyl radicals. This approach can process the asymmetric EPR absorption spectra of the nitroxyl radicals being measured, and can suppress image artifacts due to spectral asymmetry. With this improved visualization method and a 750-MHz continuous-wave EPR imager, a temporal change in the distributions of a two-phase paraffin oil and water/glycerin solution system was visualized using lipophilic and hydrophilic nitroxyl radicals, i.e., 2-(14-carboxytetradecyl)-2-ethyl-4,4-dimethyl-3-oxazolidinyloxy (16-DOXYL stearic acid) and 4-hydroxyl-2,2,6,6-tetramethylpiperidine-d17-1-15N-1-oxyl (TEMPOL-d17-15N). The results of the two-phase separation experiment verified that reasonable artifact suppression could be achieved by the present method that deals with asymmetric absorption spectra in the EPR imaging of 14N- and 15N-labeled nitroxyl radicals.

  4. Realistic absorption coefficient of each individual film in a multilayer architecture

    NASA Astrophysics Data System (ADS)

    Cesaria, M.; Caricato, A. P.; Martino, M.

    2015-02-01

    A spectrophotometric strategy, termed multilayer-method (ML-method), is presented and discussed to realistically calculate the absorption coefficient of each individual layer embedded in multilayer architectures without reverse engineering, numerical refinements and assumptions about the layer homogeneity and thickness. The strategy extends in a non-straightforward way a consolidated route, already published by the authors and here termed basic-method, able to accurately characterize an absorbing film covering transparent substrates. The ML-method inherently accounts for non-measurable contribution of the interfaces (including multiple reflections), describes the specific film structure as determined by the multilayer architecture and used deposition approach and parameters, exploits simple mathematics, and has wide range of applicability (high-to-weak absorption regions, thick-to-ultrathin films). Reliability tests are performed on films and multilayers based on a well-known material (indium tin oxide) by deliberately changing the film structural quality through doping, thickness-tuning and underlying supporting-film. Results are found consistent with information obtained by standard (optical and structural) analysis, the basic-method and band gap values reported in the literature. The discussed example-applications demonstrate the ability of the ML-method to overcome the drawbacks commonly limiting an accurate description of multilayer architectures.

  5. Modeling the reflectance of CO2 frost with new optical constants: Application to Martian south polar cap spectra

    NASA Technical Reports Server (NTRS)

    Hansen, Gary B.; Martin, Terry Z.

    1993-01-01

    New measurements of the absorption coefficients of CO2 ice, in most of the spectral range 0.2 to 3.9 microns where absorption coefficients are below 1.5 per cm, have recently been made. Although these measurements are preliminary, they contain spectral detail not seen previously in the literature. Therefore, it is useful to combine these new data with older data from spectral regions of stronger absorption and reformulate models of the albedo or reflectance of CO2 frost. These models can then be adjusted in an attempt to match measurements of Martian polar deposits, such as the set of spectra returned by the IRS instrument on Mariner 7 (1969). The new absorption coefficients of CO2 ice were measured on several samples of 41-mm thickness at 150-155 K. A portion of the spectrum from 1.9 to 3.9 microns wavelength is shown in the form of imaginary coefficient of refraction ( = linear absorption x wavelength / 4 pi). The data above 3x10(exp -5) are obtained from, except for the absorption line at 3.32 micrometers, which is extrapolated in a way that is consistent with laboratory frost measurements, but the peak level is still highly uncertain. This new imagary coefficient, combined with the real coefficient, can be immediately applied to the models for hemispherical albedo, resulting in markedly different results from those in that study. The results for an infinite optical depth layer and solar incidence of 60 degrees are plotted for a range of mean particle radii from 0.03 to 3 mm.

  6. ESTIMATION OF INHERENT OPTICAL PROPERTIES AND WATER CONSTITUENT CONCENTRATIONS FROM THE REMOTE-SENSING REFLECTANCE SPECTRA IN THE ALBEMARLE-PAMLICO ESTUARY, USA

    EPA Science Inventory

    The decomposition of remote sensing reflectance (RSR) spectra into absorption, scattering and backscattering coefficients, and scattering phase function is an important issue for estimating water quality (WQ) components. For Case 1 waters RSR decomposition can be easily accompli...

  7. Absorption spectra of adenocarcinoma and squamous cell carcinoma cervical tissues

    NASA Astrophysics Data System (ADS)

    Ivashko, Pavlo; Peresunko, Olexander; Zelinska, Natalia; Alonova, Marina

    2014-08-01

    We studied a methods of assessment of a connective tissue of cervix in terms of specific volume of fibrous component and an optical density of staining of connective tissue fibers in the stroma of squamous cancer and cervix adenocarcinoma. An absorption spectra of blood plasma of the patients suffering from squamous cancer and cervix adenocarcinoma both before the surgery and in postsurgical periods were obtained. Linear dichroism measurements transmittance in polarized light at different orientations of the polarization plane relative to the direction of the dominant orientation in the structure of the sample of biotissues of stroma of squamous cancer and cervix adenocarcinoma were carried. Results of the investigation of the tumor tissues showed that the magnitude of the linear dichroism Δ is insignificant in the researched spectral range λ=280-840 nm and specific regularities in its change observed short-wave ranges.

  8. One-shot calculation of temperature-dependent optical spectra and phonon-induced band-gap renormalization

    NASA Astrophysics Data System (ADS)

    Zacharias, Marios; Giustino, Feliciano

    Electron-phonon interactions are of fundamental importance in the study of the optical properties of solids at finite temperatures. Here we present a new first-principles computational technique based on the Williams-Lax theory for performing predictive calculations of the optical spectra, including quantum zero-point renormalization and indirect absorption. The calculation of the Williams-Lax optical spectra is computationally challenging, as it involves the sampling over all possible nuclear quantum states. We develop an efficient computational strategy for performing ''one-shot'' finite-temperature calculations. These require only a single optimal configuration of the atomic positions. We demonstrate our methodology for the case of Si, C, and GaAs, yielding absorption coefficients in good agreement with experiment. This work opens the way for systematic calculations of optical spectra at finite temperature. This work was supported by the UK EPSRC (EP/J009857/1 and EP/M020517/) and the Leverhulme Trust (RL-2012-001), and the Graphene Flagship (EU-FP7-604391).

  9. Determination of absorption coefficient based on laser beam thermal blooming in gas-filled tube.

    PubMed

    Hafizi, B; Peñano, J; Fischer, R; DiComo, G; Ting, A

    2014-08-01

    Thermal blooming of a laser beam propagating in a gas-filled tube is investigated both analytically and experimentally. A self-consistent formulation taking into account heating of the gas and the resultant laser beam spreading (including diffraction) is presented. The heat equation is used to determine the temperature variation while the paraxial wave equation is solved in the eikonal approximation to determine the temporal and spatial variation of the Gaussian laser spot radius, Gouy phase (longitudinal phase delay), and wavefront curvature. The analysis is benchmarked against a thermal blooming experiment in the literature using a CO₂ laser beam propagating in a tube filled with air and propane. New experimental results are presented in which a CW fiber laser (1 μm) propagates in a tube filled with nitrogen and water vapor. By matching laboratory and theoretical results, the absorption coefficient of water vapor is found to agree with calculations using MODTRAN (the MODerate-resolution atmospheric TRANsmission molecular absorption database) and HITRAN (the HIgh-resolution atmospheric TRANsmission molecular absorption database).

  10. Structural properties and UV to NIR absorption spectra of metal-free phthalocyanine (H2Pc) thin films P. B. Thakor, P. N. Gajjar and A. R. Jani: Different reference systems in the study of structural properties of some simple liquid metals Shazia Bashir, M. S. Rafique, M. Khaleeq-ur-Rahman, Faizan-ul-Haq and B. R. Alvina: CO2 and Nd:YAG laser radiation induced damage in aluminium Smail Bougouffa: The study of atomic transitions by use of Numerov technique in schematic model

    NASA Astrophysics Data System (ADS)

    El-Nahass, M. M.; Farid, A. M.; Attia, A. A.; Ali, H. A. M.

    The structural properties and absorption spectra of H2Pc thin films have been studied. The films used in these studies were thermally evaporated on glass/quartz substrates with thickness ranging from 60 to 460 nm. The XRD studies of H2Pc thin films showed that the as-deposited films have a-form with monoclinic system. The mean crystallite size (L), the dislocation density (d) and the strain (x) were evaluated. The molecular structure of H2Pc thin films is confirmed by analysis of (FTIR) spectra. The surface morphology of H2Pc thin films was examined by scanning electron microscope. The absorption spectra of H2Pc recorded in the UV - VIS - IR region for the as-deposited and the annealed thin films of different thickness have been analyzed. The spectra showed two absorption bands namely the Q-band and the Soret (B)-band. The Q-band shows its characteristic splitting (Davydove splitting) with DQ = 0.21 eV. Values of some important optical parameters, namely optical absorption coefficient (a¢), molar extinction coefficient (emolar), half-band-width (Dl), electronic dipole strength (q2) and oscillator strength (f) were calculated. The fundamental and the onset of the indirect energy gaps were also determined as 2.47 and 1.4 eV, respectively.

  11. UV-Vis absorption spectra and electronic structure of merocyanines in the gas phase

    NASA Astrophysics Data System (ADS)

    Ishchenko, Alexander A.; Kulinich, Andrii V.; Bondarev, Stanislav L.; Raichenok, Tamara F.

    2018-02-01

    Gas-phase absorption spectra of a merocyanine vinylogous series have been studied for the first time. In vapour, their long-wavelength absorption bands were found to be considerably shifted hypsochromically, broader, more symmetrical, less intense, and their vinylene shift much smaller than even in low-polarity n-hexane. This indicates that in the gas phase their electronic structure closely approaches the nonpolar polyene limiting structure. The TDDFT calculations of the long-wavelength electronic transitions in the studied merocyanines in vacuo demonstrated good-to-excellent correlation - depending on the functional used - with the obtained experimental data. For comparison, the solvent effects was accounted for using the polarizable continuum model (PCM) with n-hexane and ethanol as low-polarity and high-polarity media, and compared with the UV-Vis spectral data in these solvents. In this case, the discrepancy between theory and experiment was much greater, increasing at that with the polymethine chain length.

  12. Narrow C IV absorption doublets on quasar spectra of the Baryon Oscillation Spectroscopic Survey

    NASA Astrophysics Data System (ADS)

    Chen, Zhi-Fu; Gu, Qiu-Sheng; Zhou, Luwenjia; Chen, Yan-Mei

    2016-11-01

    In this paper, we extend our work of Papers I and II, which are assigned to systematically survey C IV λλ1548,1551 narrow absorption lines (NALs) with zabs ≪ zem on quasar spectra of the Baryon Oscillation Spectroscopic Survey (BOSS) to collect C IV NALs with zabs ≈ zem from blue to red wings of C IV λ1549 emission lines. Together with Papers I and II, we have collected a total number of 41 479 C IV NALs with 1.4544 ≤ zabs ≤ 4.9224 in surveyed spectral region redward of Lyα until red wing of C IV λ1549 emission line. We find that the stronger C IV NALs tend to be the more saturated absorptions, and associated systems (zabs ≈ zem) seem to have larger absorption strengths when compared to intervening ones (zabs ≪ zem). The redshift density evolution behaviour of absorbers (the number of absorbers per redshift path) is similar to the history of the cosmic star formation. When compared to the quasar-frame velocity (β) distribution of Mg II absorbers, the β distribution of C IV absorbers is broader at β ≈ 0, shows longer extended tail, and exhibits a larger dispersion for environmental absorptions. In addition, for associated C IV absorbers, we find that low-luminosity quasars seem to exhibit smaller β and stronger absorptions when compared to high-luminosity quasars.

  13. Temperature dependence of the optical absorption spectra of InP/ZnS quantum dots

    NASA Astrophysics Data System (ADS)

    Savchenko, S. S.; Vokhmintsev, A. S.; Weinstein, I. A.

    2017-03-01

    The optical-absorption spectra of InP/ZnS (core/shell) quantum dots have been studied in a broad temperature range of T = 6.5-296 K. Using the second-order derivative spectrophotometry technique, the energies of optical transitions at room temperature were found to be E 1 = 2.60 ± 0.02 eV (for the first peak of excitonic absorption in the InP core) and E 2 = 4.70 ± 0.02 eV (for processes in the ZnS shell). The experimental curve of E 1( T) has been approximated for the first time in the framework of a linear model and in terms of the Fan's formula. It is established that the temperature dependence of E 1 is determined by the interaction of excitons and longitudinal acoustic phonons with hω = 15 meV.

  14. On the origin of a very close similarity between the spectra of the supernova type 1 in NGC 3198 and the absorption of DQ HeR

    NASA Technical Reports Server (NTRS)

    Mustel, E. R.

    1979-01-01

    The type 1 supernova discovered late in 1966 in NGC 3198 has broad minima in its spectrum break down into a number of significantly narrower absorption bands. The broad minima of tau, sigma and mu, which usually show no details in the spectra of type supernovas, contain a number of narrow absorption bands. The reality of most of these absorption bands is demonstrated by comparison of recordings of spectra of the supernova presented for two moments in time. These minima (particularly of tau and mu,) are a result of blending of several broad absorption bands. The minimum of tau should be a blend of intensive and very broad Fe absorption lines, in which the lower level is metastable. The wavelengths of these line are: 5169, 5198, 5235, 5276, 5317, 5363A.

  15. Multispectral imaging of absorption and scattering properties of in vivo exposed rat brain using a digital red-green-blue camera.

    PubMed

    Yoshida, Keiichiro; Nishidate, Izumi; Ishizuka, Tomohiro; Kawauchi, Satoko; Sato, Shunichi; Sato, Manabu

    2015-05-01

    In order to estimate multispectral images of the absorption and scattering properties in the cerebral cortex of in vivo rat brain, we investigated spectral reflectance images estimated by the Wiener estimation method using a digital RGB camera. A Monte Carlo simulation-based multiple regression analysis for the corresponding spectral absorbance images at nine wavelengths (500, 520, 540, 560, 570, 580, 600, 730, and 760 nm) was then used to specify the absorption and scattering parameters of brain tissue. In this analysis, the concentrations of oxygenated hemoglobin and that of deoxygenated hemoglobin were estimated as the absorption parameters, whereas the coefficient a and the exponent b of the reduced scattering coefficient spectrum approximated by a power law function were estimated as the scattering parameters. The spectra of absorption and reduced scattering coefficients were reconstructed from the absorption and scattering parameters, and the spectral images of absorption and reduced scattering coefficients were then estimated. In order to confirm the feasibility of this method, we performed in vivo experiments on exposed rat brain. The estimated images of the absorption coefficients were dominated by the spectral characteristics of hemoglobin. The estimated spectral images of the reduced scattering coefficients had a broad scattering spectrum, exhibiting a larger magnitude at shorter wavelengths, corresponding to the typical spectrum of brain tissue published in the literature. The changes in the estimated absorption and scattering parameters during normoxia, hyperoxia, and anoxia indicate the potential applicability of the method by which to evaluate the pathophysiological conditions of in vivo brain due to the loss of tissue viability.

  16. Determination of absorption coefficient of Chlorella vulgaris and Arthrospira maxima in water

    NASA Astrophysics Data System (ADS)

    Tekiner, Murat; Kurt, Mustafa; Ak, Ilknur; Kurt, Arzu

    2018-02-01

    Safe drinking water is crucial for human healthy, nowadays all drinking and irrigation water in developed country commonly come from dams. The water is transported to our usage area by several type of pipe or water-trench. The water can be infected some bacteria such as Chlorella vulgaris, Arthrospira maxima, during this transportation. In this study, we determine which wavelength effect to these green algae and cyanobacteria. For different concentration of these microorganisms in water, we determined uv-vis spectrum. By analyzing these spectrums, we determined absorption coefficient of these microorganisms for selected wavelength. The results show which wavelength can be used for destroy these microorganisms in affected water.

  17. Path integral Monte Carlo study on the structure and absorption spectra of alkali atoms (Li, Na, K) attached to superfluid helium clusters

    NASA Astrophysics Data System (ADS)

    Nakayama, Akira; Yamashita, Koichi

    2001-01-01

    Path integral Monte Carlo calculations have been performed to investigate the microscopic structure and thermodynamic properties of the AkṡHeN (Ak=Li, Na, K,N⩽300) clusters at T=0.5 K. Absorption spectra which correspond to the 2P←2S transitions of alkali atoms are also calculated within a pairwise additive model, which employs diatomic Ak-He potential energy curves. The size dependences of the cluster structure and absorption spectra that show the influence of the helium cluster environment are examined in detail. It is found that alkali atoms are trapped in a dimple on the helium cluster's surface and that, from the asymptotic behavior, the AkṡHe300 cluster, at least semiquantitatively, mimics the local structure of experimentally produced large helium clusters in the vicinity of alkali atoms. We have successfully reproduced the overall shapes of the spectra and explained their features from a static and structural point of view. The positions, relative intensities, and line widths of the absorption maxima are calculated to be in moderate agreement with experiments [F. Stienkemeier, J. Higgins, C. Callegari, S. I. Kanorsky, W. E. Ernst, and G. Scoles, Z. Phys. D 38, 253 (1996)].

  18. ABSORBANCE, ABSORPTION COEFFICIENT, AND APPARENT QUANTUM YIELD: A COMMENT ON AMBIGUITY IN THE USE OF THESE OPTICAL CONCEPTS

    EPA Science Inventory

    Several important optical terms such as "absorbance" and "absorption coefficient" are frequently used ambiguously in the current peer-reviewed literature. Since they are important terms that are required to derive other quantities such as the "apparent quantum yield" of photoprod...

  19. Parameters and computer software for the evaluation of mass attenuation and mass energy-absorption coefficients for body tissues and substitutes.

    PubMed

    Okunade, Akintunde A

    2007-07-01

    The mass attenuation and energy-absorption coefficients (radiation interaction data), which are widely used in the shielding and dosimetry of X-rays used for medical diagnostic and orthovoltage therapeutic procedures, are strongly dependent on the energy of photons, elements and percentage by weight of elements in body tissues and substitutes. Significant disparities exist in the values of percentage by weight of elements reported in literature for body tissues and substitutes for individuals of different ages, genders and states of health. Often, interested parties are in need of these radiation interaction data for body tissues or substitutes with percentage by weight of elements and intermediate energies that are not tabulated in literature. To provide for the use of more precise values of these radiation interaction data, parameters and computer programs, MUA_T and MUEN_T are presented for the computation of mass attenuation and energy-absorption coefficients for body tissues and substitutes of arbitrary percentage-by-weight elemental composition and photon energy ranging between 1 keV (or k-edge) and 400 keV. Results are presented, which show that the values of mass attenuation and energy-absorption coefficients obtained from computer programs are in good agreement with those reported in literature.

  20. Transition metal atomic multiplets in the ligand K-edge x-ray absorption spectra and multiple oxidation states in the L2,3 emission of strongly correlated compounds

    NASA Astrophysics Data System (ADS)

    Jiménez-Mier, J.; Olalde-Velasco, P.; Yang, W.-L.; Denlinger, J.

    2014-07-01

    We present results that show that atomic multiplet ligand field calculations are in very good agreement with experimental x-ray absorption spectra at the L2,3 edge of transition metal (TM) di-fluorides (MF2, MCrCu). For chromium more than one TM oxidation state is needed to achieve such an agreement. We also show that signature of the TM atomic multiplet can be found at the pre-edge of the fluorine K-edge x-ray absorption spectra. TM atomic multiplet ligand field calculations with a structureless core hole show good agreement with the observed pre-edges in the experimental fluorine absorption spectra. Preliminary results for the comparison between calculated and experimental resonant x-ray emission spectra for nominal CrF2 with more than one oxidation state indicate the presence of three chromium oxidation states in the bulk.

  1. Reverse saturable absorption studies in polymerized indole - Effect of polymerization in the phenomenal enhancement of third order optical nonlinearity

    NASA Astrophysics Data System (ADS)

    Jayakrishnan, K.; Joseph, Antony; Bhattathiripad, Jayakrishnan; Ramesan, M. T.; Chandrasekharan, K.; Siji Narendran, N. K.

    2016-04-01

    We report our results on the identification of large order enhancement in nonlinear optical coefficients of polymerized indole and its comparative study with reference to its monomer counterpart. Indole monomer shows virtually little third order effects whereas its polymerized version exhibits phenomenal increase in its third order nonlinear optical parameters such as nonlinear refractive index and nonlinear absorption. Open aperture Z-scan trace of polyindole done with Q-switched Nd:YAG laser source (532 nm, 7 ns), shows β value as high as 89 cm/GW at a beam energy of 0.83 GW/cm2. Closed aperture Z-scan done at identical energies reveals nonlinear refractive index of the order of -3.55 × 10-17 m2/W. Band gap measurement of polyindole was done with UV-Vis absorption spectra and compared with that of Indole. FTIR spectra of the monomer and polymerized versions were recorded and relevant bond formations were confirmed from the characteristic peaks. Photo luminescent spectra were investigated to know the emission features of both molecules. Beam energy (I0) versus nonlinear absorption coefficient (β) plot indicates reverse saturable type of absorption behaviour in polyindole molecules. Degenerate Four Wave Mixing (DFWM) plot of polyindole reveals quite a cubic dependence between probe and phase conjugate signal and the resulting χ(3) is comparable with Z-scan results. Optical limiting efficiency of polyindole is comparable with certain derivatives of porphyrins, phthalocyanines and graphene oxides.

  2. Measurements of high-pressure CO2 absorption near 2.0 μm and implications on tunable diode laser sensor design

    NASA Astrophysics Data System (ADS)

    Rieker, G. B.; Jeffries, J. B.; Hanson, R. K.

    2009-01-01

    A tunable diode laser (TDL) is used to measure the absorption spectra of the R46 through R54 transitions of the 20012 ←00001 band of CO2 near 2.0 μm (5000 cm-1) at room temperature and pressures to 10 atm (densities to 9.2 amagat). Spectra are recorded using direct absorption spectroscopy and wavelength modulation spectroscopy with second-harmonic detection (WMS-2f) in a mixture containing 11% CO2 in air. The direct absorption spectra are influenced by non-Lorentzian effects including finite-duration collisions which perturb far-wing absorption, and an empirical χ-function correction to the Voigt line shape is shown to greatly reduce error in the spectral model. WMS-2f spectra are shown to be at least a factor of four less-influenced by non-Lorentzian effects in this region, making this approach more resistant to errors in the far-wing line shape model and allowing a comparison between the spectral parameters of HITRAN and a new database which includes pressure-induced shift coefficients. The implications of these measurements on practical, high-pressure CO2 sensor design are discussed.

  3. Ground-based Photon Path Measurements from Solar Absorption Spectra of the O2 A-band

    NASA Technical Reports Server (NTRS)

    Yang, Z.; Wennberg, P. O.; Cageao, R. P.; Pongetti, T. J.; Toon, G. C.; Sander, S. P.

    2005-01-01

    High-resolution solar absorption spectra obtained from Table Mountain Facility (TMF, 34.38degN, 117.68degW, 2286 m elevation) have been analyzed in the region of the O2 A-band. The photon paths of direct sunlight in clear sky cases are retrieved from the O2 absorption lines and compared with ray-tracing calculations based on the solar zenith angle and surface pressure. At a given zenith angle, the ratios of retrieved to geometrically derived photon paths are highly precise (approx.0.2%), but they vary as the zenith angle changes. This is because current models of the spectral lineshape in this band do not properly account for the significant absorption that exists far from the centers of saturated lines. For example, use of a Voigt function with Lorentzian far wings results in an error in the retrieved photon path of as much as 5%, highly correlated with solar zenith angle. Adopting a super-Lorentz function reduces, but does not completely eliminate this problem. New lab measurements of the lineshape are required to make further progress.

  4. The coefficient of bond thermal expansion measured by extended x-ray absorption fine structure.

    PubMed

    Fornasini, P; Grisenti, R

    2014-10-28

    The bond thermal expansion is in principle different from the lattice expansion and can be measured by correlation sensitive probes such as extended x-ray absorption fine structure (EXAFS) and diffuse scattering. The temperature dependence of the coefficient α(bond)(T) of bond thermal expansion has been obtained from EXAFS for CdTe and for Cu. A coefficient α(tens)(T) of negative expansion due to tension effects has been calculated from the comparison of bond and lattice expansions. Negative lattice expansion is present in temperature intervals where α(bond) prevails over α(tens); this real-space approach is complementary but not equivalent to the Grüneisen theory. The relevance of taking into account the asymmetry of the nearest-neighbours distribution of distances in order to get reliable bond expansion values and the physical meaning of the third cumulant are thoroughly discussed.

  5. New method to determine the refractive index and the absorption coefficient of organic nonlinear crystals in the ultra-wideband THz region.

    PubMed

    Ohno, Seigo; Miyamoto, Katsuhiko; Minamide, Hiroaki; Ito, Hiromasa

    2010-08-02

    A method for simultaneously measuring the refractive index and absorption coefficient of nonlinear optical crystals in the ultra-wideband terahertz (THz) region is described. This method is based on the analysis of a collinear difference frequency generation (DFG) process using a tunable, dual-wavelength, optical parametric oscillator. The refractive index and the absorption coefficient in the organic nonlinear crystal DAST were experimentally determined in the frequency range 2.5-26.2 THz by measuring the THz-wave output using DFG. The resultant refractive index in the x-direction was approximately 2.3, while the absorption spectrum was in good agreement with FT-IR measurements. The output of the DAST-DFG THz-wave source was optimized to the phase-matching condition using the measured refractive index spectrum in THz region, which resulted in an improvement in the output power of up to a factor of nine.

  6. The Optical Absorption Coefficient of Maize Grains Investigated by Photoacoustic Spectroscopy

    NASA Astrophysics Data System (ADS)

    Rodríguez-Páez, C. L.; Carballo-Carballo, A.; Rico-Molina, R.; Hernández-Aguilar, C.; Domínguez-Pacheco, A.; Cruz-Orea, A.; Moreno-Martínez, E.

    2017-01-01

    In the maize and tortilla industry, it is important to characterize the color of maize ( Zea mays L.) grain, as it is one of the attributes that directly affect the quality of the tortillas consumed by the population. For this reason, the availability of alternative techniques for assessing and improving the quality of grain is valued. Photoacoustic spectroscopy has proven to be a useful tool for characterizing maize grain. So, the objective of the present study was to determine the optical absorption coefficient β of the maize grain used to make tortillas from two regions of Mexico: (a) Valles Altos, 2012-2013 production cycle and (b) Guasave, Sinaloa, 2013-2014 production cycle. Traditional reflectance measurements, physical characteristics of the grain and nutrient content were also calculated. The experimental results show different characteristics for maize grains.

  7. The THz time domain spectra of SrB4O7 crystal

    NASA Astrophysics Data System (ADS)

    Wang, Yali; Hou, Bihui; Wang, Haiyan; Zhao, Guozhong; Shi, Yishi

    2010-11-01

    SrB4O7 (SBO) is a promising nonlinear optical crystal. It has the orthorhombic structure with group classified as Pnm2. The sample for the experiment was cut along the (001) plane and twin polishing with 1.632mm thickness. It exhibits a wider transparency range from UV to far-IR. And its absorption edge lies at 160nm. The forbidden band gap is about 7.76eV. The THz spectra of SBO crystal had been studied from 0.1 to 2.5THz. The THz time domain spectrum of SBO shows the strong resonance characters. In THz experiment, the vertical incident electromagnetic waves radiate the polished side twice along (001) orientation. The crystal turned 90 degrees relative to the first in the vertical direction. There are different optical properties in two directions. We gained the curves of the refractive index and absorption coefficient dependence of frequency in the region of 0.1-2.5THz. The absorption curves shows opposite parabola character. One is upward opening and the largest absorption coefficient is 10cm-1. The other is down opening and the less absorption coefficient is 1cm-1. The refractive index n is stable linear with frequency and it is 3 from 0.4THz to 2.5THz. But the refractive index of two directions shows the opposite tendency from 0.1 to 0.4THz. The reason of the difference is that polarized beam radiates the orthorhombic crystal. The properties of the sample show that it is possible to apply it to laser field.

  8. Analysis of Atmospheric Trace Constituents from High Resolution Infrared Balloon-Borne and Ground-Based Solar Absorption Spectra

    NASA Technical Reports Server (NTRS)

    Goldman, A.; Murcray, F. J.; Rinsland, C. P.; Blatherwick, R. D.; Murcray, F. H.; Murcray, D. G.

    1991-01-01

    Recent results and ongoing studies of high resolution solar absorption spectra will be presented. The analysis of these spectra is aimed at the identification and quantification of trace constituents important in atmospheric chemistry of the stratosphere and upper troposphere. Analysis of balloon-borne and ground-based spectra obtained at 0.0025/ cm covering the 700-2200/ cm interval will be presented. Results from ground-based 0.02/ cm solar spectra, from several locations such as Denver, South Pole, M. Loa, and New Zealand will also be shown. The 0.0025/ cm spectra show many new spectroscopic features. The analysis of these spectra, along with corresponding laboratory spectra, improves the spectral line parameters, and thus the accuracy of trace constituents quantification. The combination of the recent balloon flights, with earlier flights data since 1978 at 0.02/ cm resolution, provides trends analysis of several stratospheric trace species. Results for COF2, F22, SF6, and other species will be presented. Analysis of several ground-based solar spectra provides trends for HCl, HF and other species. The retrieval methods used for total column density and altitude distribution for both ground-based and balloon-borne spectra will be presented. These are extended for the analysis of the ground-based spectra to be obtained by the high resolution interferometers of the Network for Detection of Stratospheric Change (NDSC). Progress or the University of Denver studies for the NDSC will be presented. This will include intercomparison of solar spectra and trace gases retrievals obtained from simultaneous scans by the high resolution (0.0025/ cm) interferometers of BRUKER and BOMEM.

  9. CO2-broadening and shift coefficients in the ν3 and ν2 + (ν4 +ν5)+0 bands of acetylene

    NASA Astrophysics Data System (ADS)

    Lyulin, O. M.; Petrova, T. M.; Solodov, A. M.; Solodov, A. A.; Perevalov, V. I.

    2018-03-01

    The absorption spectra of the mixture of C2H2 and CO2 at different partial pressures of both gases have been recorded at room temperature in the 3 μm region using the Bruker IFS 125 HR FTIR spectrometer. The multispectrum fitting procedure has been applied to these spectra to recover the broadening and shift parameters of the acetylene spectral lines. The CO2 broadening and pressure induced shift coefficients for 119 lines of the ν3 and ν2 + (ν4 +ν5)+0 bands of acetylene have been derived. The rotational dependence of the values of these coefficients is discussed. The comparison of the obtained coefficients to those published by other authors for the ν1 + ν3 and (ν4 +ν5)+0 bands is performed.

  10. Surface Plasmon Absorption in MoS2 and Graphene-MoS2 Micro-Gratings and the Impact of a Liquid Crystal Substrate (Postprint)

    DTIC Science & Technology

    2018-04-27

    ABSTRACT (Maximum 200 words) The absorption coefficients of a far-infrared wave are calculated at normal incidence for MoS2 and graphene-MoS2 micro...ribbon gratings placed between a nematic LC and an isotropic dielectric medium. Maxima in the absorption spectra, which are related to the...excitation of the surface plasmons in micro-ribbons of these gratings, are observed. The spectral position of absorption maxima depends on the grating spacing

  11. Interaction of thioflavin T with amyloid fibrils: stoichiometry and affinity of dye binding, absorption spectra of bound dye.

    PubMed

    Sulatskaya, Anna I; Kuznetsova, Irina M; Turoverov, Konstantin K

    2011-10-06

    The fluorescence of the benzothiazole dye thioflavin T (ThT) is a well-known test for amyloid fibril formation. It has now become evident that ThT can also be used for structural investigations of amyloid fibrils and even for the treatment of amyloid diseases. In this case, one of the most urgent problems is an accurate determination of ThT-amyloid fibril binding parameters: the number of binding modes, stoichiometry, and binding constant for each mode. To obtain information concerning the ThT-amyloid fibril binding parameters, we propose to use absorption spectrophotometry of solutions prepared by equilibrium microdialysis. This approach is inherently designed for the determination of dye-receptor binding parameters. However, it has been very rarely used in the study of dye-protein interactions and has never been used to study the binding parameters of ThT or its analogues to amyloid fibrils. We showed that, when done in corpore, this approach enables the determination of not only binding parameters but also the absorption spectrum and molar extinction coefficient of ThT bound to sites of different binding modes. The proposed approach was used for the examination of lysozyme amyloid fibrils. Two binding modes were found for the ThT-lysozyme amyloid fibril interaction. These binding modes have significantly different binding constants (K(b1) = 7.5 × 10(6) M(-1), K(b2) = 5.6 × 10(4) M(-1)) and a different number of dye binding sites on the amyloid fibrils per protein molecule (n(1) = 0.11, n(2) = 0.24). The absorption spectra of ThT bound to sites of different modes differ from each other (ε(b1,max) = 5.1 × 10(4) M(-1) cm(-1), ε(b2,max) = 6.7 × 10(4) M(-1)cm(-1), λ(max) = 449 nm) and significantly differ from that of free ThT in aqueous solution (ε(max) = 3.2 × 10(4) M(-1)cm(-1), λ(max) = 412 nm). © 2011 American Chemical Society

  12. Absorption and fluorescence spectra of heterocyclic isomers from long-range-corrected density functional theory in polarizable continuum approach.

    PubMed

    Kityk, Andriy V

    2012-03-22

    Long-range-corrected (LC) DFT/TDDFT methods may provide adequate description of ground and excited state properties; however, accuracy of such an approach depends much on a range separation (exchange screening) representing adjustable model parameter. Its relation to a size or specific of molecular systems has been explored in numerous studies, whereas the effect of solvent environment is usually ignored during the evaluation of state properties. To benchmark and assess the quality of the LC-DFT/TDDFT formalism, we report the optical absorption and fluorescence emission energies of organic heterocyclic isomers, DPIPQ and PTNA, calculated by LC-BLYP DFT/TDDFT method in the polarizable continuum (PCM) approach. The calculations are compared with the optical absorption and fluorescence spectra measured in organic solvents of different polarity. Despite a considerable structural difference, both dyes exhibit quite similar range separations being somewhat different for the optical absorption and fluorescence emission processes. Properly parametrized LC-BLYP xc-potential well reproduces basic features of the optical absorption spectra including the electronic transitions to higher excited states. The DFT/TDDFT/PCM analysis correctly predicts the solvation trends although solvatochromic shifts of the electronic transition energies appear to be evidently underestimated in most cases, especially for the fluorescence emission. Considering the discrepancy between the experiment and theory, evaluated state dipole moments and solvation corrections to the exchange screening are analyzed. The results of the present study emphasize the importance of a solvent-dependent range separation in DFT/TDDFT/PCM calculations for investigating excited state properties. © 2012 American Chemical Society

  13. Diffuse reflectance relations based on diffusion dipole theory for large absorption and reduced scattering

    NASA Astrophysics Data System (ADS)

    Bremmer, Rolf H.; van Gemert, Martin J. C.; Faber, Dirk J.; van Leeuwen, Ton G.; Aalders, Maurice C. G.

    2013-08-01

    Diffuse reflectance spectra are used to determine the optical properties of biological samples. In medicine and forensic science, the turbid objects under study often possess large absorption and/or scattering properties. However, data analysis is frequently based on the diffusion approximation to the radiative transfer equation, implying that it is limited to tissues where the reduced scattering coefficient dominates over the absorption coefficient. Nevertheless, up to absorption coefficients of 20 m at reduced scattering coefficients of 1 and 11.5 mm-1, we observed excellent agreement (r2=0.994) between reflectance measurements of phantoms and the diffuse reflectance equation proposed by Zonios et al. [Appl. Opt. 38, 6628-6637 (1999)], derived as an approximation to one of the diffusion dipole equations of Farrell et al. [Med. Phys. 19, 879-888 (1992)]. However, two parameters were fitted to all phantom experiments, including strongly absorbing samples, implying that the reflectance equation differs from diffusion theory. Yet, the exact diffusion dipole approximation at high reduced scattering and absorption also showed agreement with the phantom measurements. The mathematical structure of the diffuse reflectance relation used, derived by Zonios et al. [Appl. Opt. 38, 6628-6637 (1999)], explains this observation. In conclusion, diffuse reflectance relations derived as an approximation to the diffusion dipole theory of Farrell et al. can analyze reflectance ratios accurately, even for much larger absorption than reduced scattering coefficients. This allows calibration of fiber-probe set-ups so that the object's diffuse reflectance can be related to its absorption even when large. These findings will greatly expand the application of diffuse reflection spectroscopy. In medicine, it may allow the use of blue/green wavelengths and measurements on whole blood, and in forensic science, it may allow inclusion of objects such as

  14. Vibrationally high-resolved electronic spectra of MCl2 (M=C, Si, Ge, Sn, Pb) and photoelectron spectra of MCl2(.).

    PubMed

    Ran, Yibin; Pang, Min; Shen, Wei; Li, Ming; He, Rongxing

    2016-10-05

    We systematically studied the vibrational-resolved electronic spectra of group IV dichlorides using the Franck-Condon approximation combined with the Duschinsky and Herzberg-Teller effects in harmonic and anharmonic frameworks (only the simulation of absorption spectra includes the anharmonicity). Calculated results showed that the band shapes of simulated spectra are in accordance with those of the corresponding experimental or theoretical ones. We found that the symmetric bend mode in progression of absorption is the most active one, whereas the main contributor in photoelectron spectra is the symmetric stretching mode. Moreover, the Duschinsky and anharmonic effects exert weak influence on the absorption spectra, except for PbCl2 molecule. The theoretical insights presented in this work are significant in understanding the photophysical properties of MCl2 (M=C, Si, Ge, Sn, Pb) and studying the Herzberg-Teller and the anharmonic effects on the absorption spectra of new dichlorides of this main group. Copyright © 2016 Elsevier B.V. All rights reserved.

  15. Disentangling atomic-layer-specific x-ray absorption spectra by Auger electron diffraction spectroscopy

    NASA Astrophysics Data System (ADS)

    Matsui, Fumihiko; Matsushita, Tomohiro; Kato, Yukako; Hashimoto, Mie; Daimon, Hiroshi

    2009-11-01

    In order to investigate the electronic and magnetic structures of each atomic layer at subsurface, we have proposed a new method, Auger electron diffraction spectroscopy, which is the combination of x-ray absorption spectroscopy (XAS) and Auger electron diffraction (AED) techniques. We have measured a series of Ni LMM AED patterns of the Ni film grown on Cu(001) surface for various thicknesses. Then we deduced a set of atomic-layer-specific AED patterns in a numerical way. Furthermore, we developed an algorithm to disentangle XANES spectra from different atomic layers using these atomic-layer-specific AED patterns. Surface and subsurface core level shift were determined for each atomic layer.

  16. Dynamics of intramolecular electron transfer reaction of FAD studied by magnetic field effects on transient absorption spectra.

    PubMed

    Murakami, Masaaki; Maeda, Kiminori; Arai, Tatsuo

    2005-07-07

    The kinetics of intermediates generated from intramolecular electron-transfer reaction by photo irradiation of the flavin adenine dinucleotide (FAD) molecule was studied by a magnetic field effect (MFE) on transient absorption (TA) spectra. Existence time of MFE and MFE action spectra have a strong dependence on the pH of solutions. The MFE action spectra have indicated the existence of interconversion between the radical pair and the cation form of the triplet excited state of flavin part. All rate constants of the triplet and the radical pair were determined by analysis of the MFE action spectra and decay kinetics of TA. The obtained values for the interconversion indicate that the formation of cation radical promotes the back electron-transfer reaction to the triplet excited state. Further, rate constants of spin relaxation and recombination have been studied by the time profiles of MFE at various pH. The drastic change of those two factors has been obtained and can be explained by SOC (spin-orbit coupling) induced back electron-transfer promoted by the formation of a stacking conformation at pH > 2.5.

  17. DFT study of electron absorption and emission spectra of pyramidal LnPc(OAc) complexes of some lanthanide ions in the solid state

    NASA Astrophysics Data System (ADS)

    Hanuza, J.; Godlewska, P.; Lisiecki, R.; Ryba-Romanowski, W.; Kadłubański, P.; Lorenc, J.; Łukowiak, A.; Macalik, L.; Gerasymchuk, Yu.; Legendziewicz, J.

    2018-05-01

    The electron absorption and emission spectra were measured for the pyramidal LnPc(OAc) complexes in the solid state and co-doped in silica glass, where Ln = Er, Eu and Ho. The theoretical electron spectra were determined from the quantum chemical DFT calculation using four approximations CAM-B3LYP/LANL2DZ, CAM-B3LYP/CC-PVDZ, B3LYP/LANL2DZ and B3LYP/CC-PVDZ. It was shown that the best agreement between the calculated and experimental structural parameters and spectroscopic data was reached for the CAM-B3LYP/LANL2DZ model. The emission spectra were measured using the excitations both in the ligand and lanthanide absorption ranges. The possibility of energy transfer between the phthalocyanine ligand and excited states of lanthanide ions was discussed. It was shown that the back energy transfer from metal states to phthalocyanine state is responsible for the observed emission of the studied complexes both in the polycrystalline state and silica glass.

  18. A method to determine the acoustic reflection and absorption coefficients of porous media by using modal dispersion in a waveguide.

    PubMed

    Prisutova, Jevgenija; Horoshenkov, Kirill; Groby, Jean-Philippe; Brouard, Bruno

    2014-12-01

    The measurement of acoustic material characteristics using a standard impedance tube method is generally limited to the plane wave regime below the tube cut-on frequency. This implies that the size of the tube and, consequently, the size of the material specimen must remain smaller than a half of the wavelength. This paper presents a method that enables the extension of the frequency range beyond the plane wave regime by at least a factor of 3, so that the size of the material specimen can be much larger than the wavelength. The proposed method is based on measuring of the sound pressure at different axial locations and applying the spatial Fourier transform. A normal mode decomposition approach is used together with an optimization algorithm to minimize the discrepancy between the measured and predicted sound pressure spectra. This allows the frequency and angle dependent reflection and absorption coefficients of the material specimen to be calculated in an extended frequency range. The method has been tested successfully on samples of melamine foam and wood fiber. The measured data are in close agreement with the predictions by the equivalent fluid model for the acoustical properties of porous media.

  19. Electronic structure of some adenosine receptor antagonists. III. Quantitative investigation of the electronic absorption spectra of alkyl xanthines

    NASA Astrophysics Data System (ADS)

    Moustafa, H.; Shalaby, Samia H.; El-sawy, K. M.; Hilal, Rifaat

    2002-07-01

    Quantitative and comparative investigation of the electronic absorption spectra of theophylline, caffeine and their derivatives is reported. The spectra of theophylline, caffeine and theobromine were compared to establish the predominant tautomeric species in solution. This comparison, analysis of solvent effects and assignments of the observed transitions via MO computations indicate the exits of only one tautomeric species in solution that is the N7 form. A low-lying triplet state was identified which corresponds to a HOMO-LUMO transition. This relatively long-lived T 1 state is always less polar than the ground state and may very well underlie the photochemical reactivity of alkyl xanthines. Substituents of different electron donating or withdrawing strengths and solvent effects are investigated and analyzed. The present analysis is facilitated via computer deconvolution of the observed spectra and MO computation.

  20. The absorption- and luminescence spectra of Mn3+ in beryl and vesuvianite

    NASA Astrophysics Data System (ADS)

    Czaja, Maria; Lisiecki, Radosław; Chrobak, Artur; Sitko, Rafał; Mazurak, Zbigniew

    2018-05-01

    The electron absorption-, photoluminescence- and electron paramagnetic-resonance spectra of Mn3+ in red beryl from Wah Wah Mountains (Utah USA) and of pink- and purple vesuvianite from Jeffrey Mine (Asbestos, Canada) were measured at room- and low temperatures. The crystal field stabilization energies are equal to 130.9 kJ/mol for the red beryl, and 151.5-158.0 and 168.0 kJ/mol for for the pink- and the purple vesuvianite, respectively. The red photoluminescence of Mn3+ was not intensive either at room- or at low temperatures. The high Mn content in the crystals caused the emergence of an additional emission band and short photoluminescence-decay lifetimes. The latter are only 183 μs for beryl and 17 μs for vesuvianite.

  1. The absorption- and luminescence spectra of Mn3+ in beryl and vesuvianite

    NASA Astrophysics Data System (ADS)

    Czaja, Maria; Lisiecki, Radosław; Chrobak, Artur; Sitko, Rafał; Mazurak, Zbigniew

    2017-12-01

    The electron absorption-, photoluminescence- and electron paramagnetic-resonance spectra of Mn3+ in red beryl from Wah Wah Mountains (Utah USA) and of pink- and purple vesuvianite from Jeffrey Mine (Asbestos, Canada) were measured at room- and low temperatures. The crystal field stabilization energies are equal to 130.9 kJ/mol for the red beryl, and 151.5-158.0 and 168.0 kJ/mol for for the pink- and the purple vesuvianite, respectively. The red photoluminescence of Mn3+ was not intensive either at room- or at low temperatures. The high Mn content in the crystals caused the emergence of an additional emission band and short photoluminescence-decay lifetimes. The latter are only 183 μs for beryl and 17 μs for vesuvianite.

  2. Photo-physical properties and triplet-triplet absorption of platinum(II) acetylides in solid PMMA matrices

    NASA Astrophysics Data System (ADS)

    Glimsdal, Eirik; Westlund, Robert; Lindgren, Mikael

    2009-05-01

    Because of their strong nonlinear optical properties, Platinum(II) acetylides are investigated as potential chromophores for optical power limiting (OPL) applications. The strong excited state absorption and efficient intersystem crossing to the triplet states in these materials are desired properties for good OPL performance. We recently reported on OPL and photo-physical properties of Pt(II)-acetylide chromophores in solution, modified with thiophenyl or triazole groups. [R. Westlund et al. J. Mater. Chem. 18, 166 (2008); E. Glimsdal et al. Proc. SPIE 6740, 67400M (2007)] The chromophores were later incorporated into poly(methyl-methacrylate) (PMMA) glasses. A variety of doped organic solids were prepared, reaching concentrations of up to 13 wt% of the guest molecule. Raman spectra of the doped solid devices proved that the chemical structure of the nonlinear dyes remains intact upon the polymerization of the solid matrix. Luminescence spectra confirm that the basic photo-physical properties (absorption, emission and inter-system crossing) observed for the solute molecules in THF are maintained also in the solid state. In particular, the phosphorescence lifetime stays in the order of μs to ms, just as in the oxygen evacuated liquid samples. Also, the wavelength dependence and time-dynamics of the triplet absorption spectra of the dyes, dissolved in THF solution and dispersed in solid PMMA matrices, were investigated and compared. Ground state UV absorption spectra between 300 and 420 nm have corresponding broad band visible triplet-triplet absorption between 400 and 800 nm. The triplet state extinction coefficients were determined to be in the order of 104 M-1cm-1.

  3. Temperature and current coefficients of lasing wavelength in tunable diode laser spectroscopy.

    PubMed

    Fukuda, M; Mishima, T; Nakayama, N; Masuda, T

    2010-08-01

    The factors determining temperature and current coefficients of lasing wavelength are investigated and discussed under monitoring CO(2)-gas absorption spectra. The diffusion rate of Joule heating at the active layer to the surrounding region is observed by monitoring the change in the junction voltage, which is a function of temperature and the wavelength (frequency) deviation under sinusoidal current modulation. Based on the experimental results, the time interval of monitoring the wavelength after changing the ambient temperature or injected current (scanning rate) has to be constant at least to eliminate the monitoring error induced by the deviation of lasing wavelength, though the temperature and current coefficients of lasing wavelength differ with the rate.

  4. Density, ultrasound velocity, acoustic impedance, reflection and absorption coefficient determination of liquids via multiple reflection method.

    PubMed

    Hoche, S; Hussein, M A; Becker, T

    2015-03-01

    The accuracy of density, reflection coefficient, and acoustic impedance determination via multiple reflection method was validated experimentally. The ternary system water-maltose-ethanol was used to execute a systematic, temperature dependent study over a wide range of densities and viscosities aiming an application as inline sensor in beverage industries. The validation results of the presented method and setup show root mean square errors of: 1.201E-3 g cm(-3) (±0.12%) density, 0.515E-3 (0.15%) reflection coefficient and 1.851E+3 kg s(-1) m(-2) (0.12%) specific acoustic impedance. The results of the diffraction corrected absorption showed an average standard deviation of only 0.12%. It was found that the absorption change shows a good correlation to concentration variations and may be useful for laboratory analysis of sufficiently pure liquids. The main part of the observed errors can be explained by the observed noise, temperature variation and the low signal resolution of 50 MHz. In particular, the poor signal-to-noise ratio of the second reflector echo was found to be a main accuracy limitation. Concerning the investigation of liquids the unstable properties of the reference material PMMA, due to hygroscopicity, were identified to be an additional, unpredictable source of uncertainty. While dimensional changes can be considered by adequate methodology, the impact of the time and temperature dependent water absorption on relevant reference properties like the buffer's sound velocity and density could not be considered and may explain part of the observed deviations. Copyright © 2014 Elsevier B.V. All rights reserved.

  5. Electronic Absorption and MCD Spectra for Pd(AuPPh(3))(8)(2+), Pt(AuPPh(3))(8)(2+), and Related Platinum-Centered Gold Cluster Complexes.

    PubMed

    Adrowski, Michael J.; Mason, W. Roy

    1997-03-26

    Electronic absorption and 7.0 T magnetic circular dichroism (MCD) spectra in the UV-vis region, 1.6 to approximately 4.0 &mgr;m(-)(1) (1 &mgr;m(-)(1) = 10(4) cm(-)(1)) are reported for [Pd(AuPPh(3))(8)](NO(3))(2) and [Pt(AuPPh(3))(8)](NO(3))(2) in acetonitrile solutions at room temperature. The MCD spectra are better resolved than the absorption spectra and consist of both A and B terms. The spectra are interpreted in terms of D(4)(d)() skeletal geometry and MO's that are approximated by 5s and 6s orbitals for Pd and Pt/Au atoms, respectively. The lowest energy excited configurations and states are attributed to intraframework (IF) Au(8)(2+) transitions. Evidence is also presented for Pt 5d --> Au 6s transitions in the MCD spectra for Pt(AuPPh(3))(8)(2+). Acetonitrile solution absorption and MCD spectra for the related Pt-centered cluster complexes [Pt(CO)(AuPPh(3))(8)](NO(3))(2), [Pt(AuP(p-tolyl)(3))(8)](NO(3))(2), [Pt(CuCl)(AuPPh(3))(8)](NO(3))(2), [Pt(AgNO(3))(AuPPh(3))(8)](NO(3))(2), [Pt(Hg)(2)(AuPPh(3))(8)](NO(3))(2), [Pt(HgCl)(2)(AuPPh(3))(8)](BF(4))(2), and [Pt(HgNO(3))(2)(AuPPh(3))(8)](BF(4))(2) are also reported and interpreted within the context of the model developed for the M(AuPPh(3))(8)(2+) complexes.

  6. X-ray K-edge absorption spectra of Fe minerals and model compounds: II. EXAFS

    NASA Astrophysics Data System (ADS)

    Waychunas, Glenn A.; Brown, Gordon E.; Apted, Michael J.

    1986-01-01

    K-edge extended X-ray absorption fine structure (EXAFS) spectra of Fe in varying environments in a suite of well-characterized silicate and oxide minerals were collected using synchrotron radiation and analyzed using single scattering approximation theory to yield nearest neighbor Fe-O distances and coordination numbers. The partial inverse character of synthetic hercynite spinal was verified in this way. Comparison of the results from all samples with structural data from X-ray diffraction crystal structure refinements indicates that EXAFS-derived first neighbor distances are generally accurate to ±0.02 Å using only theoretically generated phase information, and may be improved over this if similar model compounds are used to determine EXAFS phase functions. Coordination numbers are accurate to ±20 percent and can be similarly improved using model compound EXAFS amplitude information. However, in particular cases the EXAFS-derived distances may be shortened, and the coordination number reduced, by the effects of static and thermal disorder or by partial overlap of the longer Fe-O first neighbor distances with second neighbor distances in the EXAFS structure function. In the former case the total information available in the EXAFS is limited by the disorder, while in the latter case more accurate results can in principle be obtained by multiple neighbor EXAFS analysis. The EXAFS and XANES spectra of Fe in Nain, Labrador osumulite and Lakeview, Oregon plagioclase are also analyzed as an example of the application of X-ray absorption spectroscopy to metal ion site occupation determination in minerals.

  7. Quantitative infrared absorption cross sections of isoprene for atmospheric measurements

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Brauer, Carolyn S.; Blake, Thomas A.; Guenther, Alex B.

    2014-11-19

    The OH- and O 3- initiated oxidations of isoprene, which is one of the primary volatile organic compounds produced by vegetation, are a major source of atmospheric formaldehyde and other oxygenated organics, yet little quantitative IR data exists for isoprene. We thus report absorption coefficients and integrated band intensities for isoprene in the 600 - 6500 cm -1 region. The pressure-broadened (1 atmosphere N 2) spectra were recorded at 278, 298 and 323 K in a 19.96 cm path length cell at 0.112 cm -1 resolution, using a Bruker 66V FTIR. Composite spectra are derived from a minimum of sevenmore » pressures at each temperature.« less

  8. Nonscanning Moiré deflectometry for measurement of nonlinear refractive index and absorption coefficient of liquids.

    PubMed

    Farahani, Shahrzad Shahrabi; Madanipour, Khosro; Koohian, Ata

    2017-05-01

    In this work, a nonscanning measurement technique is presented for determining the nonlinear refractive index and absorption coefficient of liquid media based on Moiré deflectometry. In the proposed method two lasers are used: a low power, wide beam as probe and a high power with specific wavelength as a pump. Interaction of the pump laser beam with the nonlinear sample changes the refractive index, which leads to change in convergence/divergence of the collimated incident probe laser beam. The induced deflection is monitored by Moiré deflectometry. If the pump laser has a Gaussian intensity profile, the refractive index profile of the sample is Gaussian, too. Measuring the deflection angle of the probe beam by Moiré fringes deflection, and by using the inverse Abel transform integral, the refractive index profile and nonlinear refractive index can be determined. This method is fast, easy, and insensitive to environmental noise and allows real-time measurement. Also, the refractive index profile of the interacted medium with pump laser can be achieved by this technique. As a liquid sample, a DCJ dye in water solution was studied. The value of nonlinear refractive index, n2, and absorption coefficient, α, were obtained -2.54×10-4  cm2 w-1 and 1.368  cm-1, respectively.

  9. A search for formic acid in the upper troposphere - A tentative identification of the 1105-per cm nu-6 band Q branch in high-resolution balloon-borne solar absorption spectra

    NASA Technical Reports Server (NTRS)

    Goldman, A.; Murcray, F. H.; Murcray, D. G.; Rinsland, C. P.

    1984-01-01

    Infrared solar absorption spectra recorded at 0.02-per cm resolution during a balloon flight from Alamogordo, NM (33 deg N), on March 23, 1981, have been analyzed for the possible presence of absorption by formic acid (HCOOH). An absorption feature at 1105 per cm has been tentatively identified in upper tropospheric spectra as due to the nu-6 band Q branch. A preliminary analysis indicates a concentration of about 0.6 ppbv and 0.4 ppbv near 8 and 10 km, respectively.

  10. The Intervening Galaxies Hypothesis of the Absorption Spectra of Quasi-Stellar Objects: Some Statistical Studies

    NASA Astrophysics Data System (ADS)

    Duari, Debiprosad; Narlikar, Jayant V.

    This paper examines, in the light of the available data, the hypothesis that the heavy element absorption line systems in the spectra of QSOs originate through en-route absorption by intervening galaxies, halos etc. Several statistical tests are applied in two different ways to compare the predictions of the intervening galaxies hypothesis (IGH) with actual observations. The database is taken from a recent 1991 compilation of absorption line systems by Junkkarinen, Hewitt and Burbidge. Although, prima facie, a considerable gap is found between the predictions of the intervening galaxies hypothesis and the actual observations despite inclusion of any effects of clustering and some likely selection effects, the gap narrows after invoking evolution in the number density of absorbers and allowing for the incompleteness and inhomogeneity of samples examined. On the latter count the gap might be bridgeable by stretching the parameters of the theory. It is concluded that although the intervening galaxies hypothesis is a possible natural explanation to account for the absorption line systems and may in fact do so in several cases, it seems too simplistic to be able to account for all the available data. It is further stressed that the statistical techniques described here will be useful for future studies of complete and homogenous samples with a view to deciding the extent of applicability of the IGH.

  11. Atmospheric absorption of terahertz radiation and water vapor continuum effects

    NASA Astrophysics Data System (ADS)

    Slocum, David M.; Slingerland, Elizabeth J.; Giles, Robert H.; Goyette, Thomas M.

    2013-09-01

    The water vapor continuum absorption spectrum was investigated using Fourier Transform Spectroscopy. The transmission of broadband terahertz radiation from 0.300 to 1.500 THz was recorded for multiple path lengths and relative humidity levels. The absorption coefficient as a function of frequency was determined and compared with theoretical predictions and available water vapor absorption data. The prediction code is able to separately model the different parts of atmospheric absorption for a range of experimental conditions. A variety of conditions were accurately modeled using this code including both self and foreign gas broadening for low and high water vapor pressures for many different measurement techniques. The intensity and location of the observed absorption lines were also in good agreement with spectral databases. However, there was a discrepancy between the resonant line spectrum simulation and the observed absorption spectrum in the atmospheric transmission windows caused by the continuum absorption. A small discrepancy remained even after using the best available data from the literature to account for the continuum absorption. From the experimental and resonant line simulation spectra the air-broadening continuum parameter was calculated and compared with values available in the literature.

  12. A Multi-Band Analytical Algorithm for Deriving Absorption and Backscattering Coefficients from Remote-Sensing Reflectance of Optically Deep Waters

    NASA Technical Reports Server (NTRS)

    Lee, Zhong-Ping; Carder, Kendall L.

    2001-01-01

    A multi-band analytical (MBA) algorithm is developed to retrieve absorption and backscattering coefficients for optically deep waters, which can be applied to data from past and current satellite sensors, as well as data from hyperspectral sensors. This MBA algorithm applies a remote-sensing reflectance model derived from the Radiative Transfer Equation, and values of absorption and backscattering coefficients are analytically calculated from values of remote-sensing reflectance. There are only limited empirical relationships involved in the algorithm, which implies that this MBA algorithm could be applied to a wide dynamic range of waters. Applying the algorithm to a simulated non-"Case 1" data set, which has no relation to the development of the algorithm, the percentage error for the total absorption coefficient at 440 nm a (sub 440) is approximately 12% for a range of 0.012 - 2.1 per meter (approximately 6% for a (sub 440) less than approximately 0.3 per meter), while a traditional band-ratio approach returns a percentage error of approximately 30%. Applying it to a field data set ranging from 0.025 to 2.0 per meter, the result for a (sub 440) is very close to that using a full spectrum optimization technique (9.6% difference). Compared to the optimization approach, the MBA algorithm cuts the computation time dramatically with only a small sacrifice in accuracy, making it suitable for processing large data sets such as satellite images. Significant improvements over empirical algorithms have also been achieved in retrieving the optical properties of optically deep waters.

  13. Sharp Absorption Peaks in THz Spectra Valuable for Crystal Quality Evaluation of Middle Molecular Weight Pharmaceuticals

    NASA Astrophysics Data System (ADS)

    Sasaki, Tetsuo; Sakamoto, Tomoaki; Otsuka, Makoto

    2018-05-01

    Middle molecular weight (MMW) pharmaceuticals (MW 400 4000) are attracting attention for their possible use in new medications. Sharp absorption peaks were observed in MMW pharmaceuticals at low temperatures by measuring with a high-resolution terahertz (THz) spectrometer. As examples, high-resolution THz spectra for amoxicillin trihydrate, atorvastatin calcium trihydrate, probucol, and α,β,γ,δ-tetrakis(1-methylpyridinium-4-yl)porphyrin p-toluenesulfonate (TMPyP) were obtained at 10 K. Typically observed as peaks with full width at half-height (FWHM) values as low as 5.639 GHz at 0.96492 THz in amoxicillin trihydrate and 8.857 GHz at 1.07974 THz for probucol, many sharp peaks of MMW pharmaceuticals could be observed. Such narrow absorption peaks enable evaluation of the crystal quality of MMW pharmaceuticals and afford sensitive detection of impurities.

  14. Synthesis and evaluation of changes induced by solvent and substituent in electronic absorption spectra of some azo disperse dyes

    NASA Astrophysics Data System (ADS)

    Mohammadi, Asadollah; Yazdanbakhsh, Mohammad Reza; Farahnak, Lahya

    2012-04-01

    Five azo disperse dyes were prepared by diazotizing 4'-aminoacetophenone and p-anisidine and coupling with varies N-alkylated aromatic amines. Characterization of the dyes was carried out by using UV-vis, FTIR and 1H NMR spectroscopic techniques. The electronic absorption spectra of dyes are determined at room temperature in fifteen solvents with different polarities. The solvent dependent maximum absorption band shifts, were investigated using dielectric constant (ɛ), refractive index (n) and Kamlet-Taft polarity parameters (hydrogen bond donating ability (α), hydrogen bond accepting ability (β) and dipolarity/polarizability polarity scale (π*)). Acceptable agreement was found between the maximum absorption band of dyes and solvent polarity parameters especially with π*. The effect of substituents of coupler and/or diazo component on the color of dyes was investigated. The effects of acid and base on the visible absorption maxima of the dyes are also reported.

  15. Infrared Spectra and Band Strengths of Amorphous and Crystalline N2O

    NASA Technical Reports Server (NTRS)

    Hudson, R. L.; Loeffler, M. J.; Gerakines, P. A.

    2017-01-01

    Infrared transmission spectra from 4000 to 400 cm (exp -1), and associated band strengths and absorption coefficients, are presented for the first time for both amorphous and crystalline N2O. Changes in the spectra as a function of ice thickness and ice temperature are shown. New measurements of density, refractive index, and specific refraction are reported for amorphous and crystalline N2O. Comparisons are made to published results, and the most-likely reason for some recent disagreements in the literature is discussed. As with CO2, its isoelectronic congener, the formation of amorphous N2O is found to require greater care than the formation of amorphous solids from more-polar molecules.

  16. Effect of ladder diagrams on optical absorption spectra in a quasiparticle self-consistent GW framework

    NASA Astrophysics Data System (ADS)

    Cunningham, Brian; Grüning, Myrta; Azarhoosh, Pooya; Pashov, Dimitar; van Schilfgaarde, Mark

    2018-03-01

    We present an approach to calculate the optical absorption spectra that combines the quasiparticle self-consistent GW method [Phys. Rev. B 76, 165106 (2007), 10.1103/PhysRevB.76.165106] for the electronic structure with the solution of the ladder approximation to the Bethe-Salpeter equation for the macroscopic dielectric function. The solution of the Bethe-Salpeter equation has been implemented within an all-electron framework, using a linear muffin-tin orbital basis set, with the contribution from the nonlocal self-energy to the transition dipole moments (in the optical limit) evaluated explicitly. This approach addresses those systems whose electronic structure is poorly described within the standard perturbative GW approaches with density-functional theory calculations as a starting point. The merits of this approach have been exemplified by calculating optical absorption spectra of a strongly correlated transition metal oxide, NiO, and a narrow gap semiconductor, Ge. In both cases, the calculated spectrum is in good agreement with the experiment. It is also shown that for systems whose electronic structure is well-described within the standard perturbative GW , such as Si, LiF, and h -BN , the performance of the present approach is in general comparable to the standard GW plus Bethe-Salpeter equation. It is argued that both vertex corrections to the electronic screening and the electron-phonon interaction are responsible for the observed systematic overestimation of the fundamental band gap and spectrum onset.

  17. Diffusion coefficients significant in modeling the absorption rate of carbon dioxide into aqueous blends of N-methyldiethanolamine and diethanolamine and of hydrogen sulfide into aqueous N-methyldiethanolamine

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Adams, M.E.; Marshall, T.L.; Rowley, R.L.

    1998-07-01

    Absorption rates of gaseous CO{sub 2} into aqueous blends of N-methyldiethanolamine (MDEA) and diethanolamine (DEA) and of gaseous H{sub 2}S into aqueous MDEA were measured in a quiescent, inverted-tube diffusiometer by monitoring the rate of pressure drop. A numerical model for absorption, diffusion, and reaction of CO{sub 2} and H{sub 2}S in blends of MDEA, DEA, and water was developed. The model was used to regress diffusion coefficients of bicarbonate, carbamate, and MDEAH{sub 2}CO{sub 3} for the case of CO{sub 2} absorption and of bisulfide ion for the case of H{sub 2}S absorption from measured absorption rates. CO{sub 2} absorptionmore » rates and diffusion coefficients of bicarbonate, carbamate, and MDEAH{sub 2}CO{sub 3} were obtained at 298.2 K and 318.2 K in aqueous solutions containing 50 mass % total amine at DEA:MDEA mole ratios of 1:20, 1:4, 1L3, and 2:3. H{sub 2}S absorption rates and diffusion coefficients of bisulfide ion were obtained at 298.2 K and 318.2 K in aqueous solutions containing 20, 35, and 50 mass % MDEA.« less

  18. Experimental Effects on IR Reflectance Spectra: Particle Size and Morphology

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Beiswenger, Toya N.; Myers, Tanya L.; Brauer, Carolyn S.

    For geologic and extraterrestrial samples it is known that both particle size and morphology can have strong effects on the species’ infrared reflectance spectra. Due to such effects, the reflectance spectra cannot be predicted from the absorption coefficients alone. This is because reflectance is both a surface as well as a bulk phenomenon, incorporating both dispersion as well as absorption effects. The same spectral features can even be observed as either a maximum or minimum. The complex effects depend on particle size and preparation, as well as the relative amplitudes of the optical constants n and k, i.e. the realmore » and imaginary components of the complex refractive index. While somewhat oversimplified, upward-going amplitude in the reflectance spectrum usually result from surface scattering, i.e. rays that have been reflected from the surface without penetration, whereas downward-going peaks are due to either absorption or volume scattering, i.e. rays that have penetrated or refracted into the sample interior and are not reflected. While the effects are well known, we report seminal measurements of reflectance along with quantified particle size of the samples, the sizing obtained from optical microscopy measurements. The size measurements are correlated with the reflectance spectra in the 1.3 – 16 micron range for various bulk materials that have a combination of strong and weak absorption bands in order to understand the effects on the spectral features as a function of the mean grain size of the sample. We report results for both sodium sulfate Na2SO4 as well as ammonium sulfate (NH4)2SO4; the optical constants have been measured for (NH4)2SO4. To go a step further from the field to the laboratory we explore our understanding of particle size effects on reflectance spectra in the field using standoff detection. This has helped identify weaknesses and strengths in detection using standoff distances of up 160 meters away from the Target. The

  19. Methamphetamine absorption by skin lipids: accumulated mass, partition coefficients, and the influence of fatty acids.

    PubMed

    Parker, K; Morrison, G

    2016-08-01

    Occupants of former methamphetamine laboratories, often residences, may experience increased exposure through the accumulation of the methamphetamine in the organic films that coat skin and indoor surfaces. The objectives of this study were to determine equilibrium partition coefficients of vapor-phase methamphetamine with artificial sebum (AS-1), artificial sebum without fatty acids (AS-2), and real skin surface films, herein called skin oils. Sebum and skin oil-coated filters were exposed to vapor-phase methamphetamine at concentrations ranging from 8 to 159 ppb, and samples were analyzed for exposure time periods from 2 h to 60 days. For a low vapor-phase methamphetamine concentration range of ~8-22 ppb, the equilibrium partition coefficient for AS-1 was 1500 ± 195 μg/g/ppb. For a high concentration range of 98-112 ppb, the partition coefficient was lower, 459 ± 80 μg/g/ppb, suggesting saturation of the available absorption capacity. The low partition coefficient for AS-2 (33 ± 6 μg/g/ppb) suggests that the fatty acids in AS-1 and skin oil are responsible for much high partition coefficients. We predict that the methamphetamine concentration in skin lipids coating indoor surfaces can exceed recommended surface remediation standards even for air concentrations well below 1 ppb. © 2015 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  20. DFT study of electron absorption and emission spectra of pyramidal LnPc(OAc) complexes of some lanthanide ions in the solid state.

    PubMed

    Hanuza, J; Godlewska, P; Lisiecki, R; Ryba-Romanowski, W; Kadłubański, P; Lorenc, J; Łukowiak, A; Macalik, L; Gerasymchuk, Yu; Legendziewicz, J

    2018-05-05

    The electron absorption and emission spectra were measured for the pyramidal LnPc(OAc) complexes in the solid state and co-doped in silica glass, where Ln=Er, Eu and Ho. The theoretical electron spectra were determined from the quantum chemical DFT calculation using four approximations CAM-B3LYP/LANL2DZ, CAM-B3LYP/CC-PVDZ, B3LYP/LANL2DZ and B3LYP/CC-PVDZ. It was shown that the best agreement between the calculated and experimental structural parameters and spectroscopic data was reached for the CAM-B3LYP/LANL2DZ model. The emission spectra were measured using the excitations both in the ligand and lanthanide absorption ranges. The possibility of energy transfer between the phthalocyanine ligand and excited states of lanthanide ions was discussed. It was shown that the back energy transfer from metal states to phthalocyanine state is responsible for the observed emission of the studied complexes both in the polycrystalline state and silica glass. Copyright © 2018. Published by Elsevier B.V.

  1. Mesure de coefficients d'absorption de plasmas créés par laser nanoseconde

    NASA Astrophysics Data System (ADS)

    Thais, F.; Chenais-Popovics, C.; Eidmann, K.; Bastiani, S.; Blenski, T.; Gilleron, F.

    2005-06-01

    La mesure des coefficients d'absorption dans les plasmas chauds est particulièrement utile dans le domaine de la fusion par confinement inertiel ainsi que dans divers contextes en astrophysique. Le développement des calculs de physique atomique qui y sont associés repose sur des hypothèses qu'il est nécessaire de vérifier dans la plus large gamme possible de conditions physiques. Nous présentons ici la méthode de mesure et d'analyse employée en nous appuyant sur l'exemple des cibles multicouches nickel/aluminium.

  2. Determination of the absorption coefficient of chromophoric dissolved organic matter from underway spectrophotometry.

    PubMed

    Dall'Olmo, Giorgio; Brewin, Robert J W; Nencioli, Francesco; Organelli, Emanuele; Lefering, Ina; McKee, David; Röttgers, Rüdiger; Mitchell, Catherine; Boss, Emmanuel; Bricaud, Annick; Tilstone, Gavin

    2017-11-27

    Measurements of the absorption coefficient of chromophoric dissolved organic matter (ay) are needed to validate existing ocean-color algorithms. In the surface open ocean, these measurements are challenging because of low ay values. Yet, existing global datasets demonstrate that ay could contribute between 30% to 50% of the total absorption budget in the 400-450 nm spectral range, thus making accurate measurement of ay essential to constrain these uncertainties. In this study, we present a simple way of determining ay using a commercially-available in-situ spectrophotometer operated in underway mode. The obtained ay values were validated using independent collocated measurements. The method is simple to implement, can provide measurements with very high spatio-temporal resolution, and has an accuracy of about 0.0004 m -1 and a precision of about 0.0025 m -1 when compared to independent data (at 440 nm). The only limitation for using this method at sea is that it relies on the availability of relatively large volumes of ultrapure water. Despite this limitation, the method can deliver the ay data needed for validating and assessing uncertainties in ocean-colour algorithms.

  3. DFT study of the effect of substituents on the absorption and emission spectra of Indigo

    PubMed Central

    2012-01-01

    Background Theoretical analyses of the indigo dye molecule and its derivatives with Chlorine (Cl), Sulfur (S), Selenium (Se) and Bromine (Br) substituents, as well as an analysis of the Hemi-Indigo molecule, were performed using the Gaussian 03 software package. Results Calculations were performed based on the framework of density functional theory (DFT) with the Becke 3- parameter-Lee-Yang-Parr (B3LYP) functional, where the 6-31 G(d,p) basis set was employed. The configuration interaction singles (CIS) method with the same basis set was employed for the analysis of excited states and for the acquisition of the emission spectra. Conclusions The presented absorption and emission spectra were affected by the substitution position. When a hydrogen atom of the molecule was substituted by Cl or Br, practically no change in the absorbed and emitted energies relative to those of the indigo molecule were observed; however, when N was substituted by S or Se, the absorbed and emitted energies increased. PMID:22809100

  4. Nitrogen dioxide and kerosene-flame soot calibration of photoacoustic instruments for measurement of light absorption by aerosols

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Arnott, W. Patrick; Moosmu''ller, Hans; Walker, John W.

    2000-12-01

    A nitrogen dioxide calibration method is developed to evaluate the theoretical calibration for a photoacoustic instrument used to measure light absorption by atmospheric aerosols at a laser wavelength of 532.0 nm. This method uses high concentrations of nitrogen dioxide so that both a simple extinction and the photoacoustically obtained absorption measurement may be performed simultaneously. Since Rayleigh scattering is much less than absorption for the gas, the agreement between the extinction and absorption coefficients can be used to evaluate the theoretical calibration, so that the laser gas spectra are not needed. Photoacoustic theory is developed to account for strong absorptionmore » of the laser beam power in passage through the resonator. Findings are that the photoacoustic absorption based on heat-balance theory for the instrument compares well with absorption inferred from the extinction measurement, and that both are well within values represented by published spectra of nitrogen dioxide. Photodissociation of nitrogen dioxide limits the calibration method to wavelengths longer than 398 nm. Extinction and absorption at 532 and 1047 nm were measured for kerosene-flame soot to evaluate the calibration method, and the single scattering albedo was found to be 0.31 and 0.20 at these wavelengths, respectively.« less

  5. FSFE: Fake Spectra Flux Extractor

    NASA Astrophysics Data System (ADS)

    Bird, Simeon

    2017-10-01

    The fake spectra flux extractor generates simulated quasar absorption spectra from a particle or adaptive mesh-based hydrodynamic simulation. It is implemented as a python module. It can produce both hydrogen and metal line spectra, if the simulation includes metals. The cloudy table for metal ionization fractions is included. Unlike earlier spectral generation codes, it produces absorption from each particle close to the sight-line individually, rather than first producing an average density in each spectral pixel, thus substantially preserving more of the small-scale velocity structure of the gas. The code supports both Gadget (ascl:0003.001) and AREPO.

  6. DFT Calculation of IR Absorption Spectra for PCE-nH2O, TCE-nH2O, DCE-nH2O, VC-nH2O for Small and Water-Dominated Molecular Clusters

    DTIC Science & Technology

    2017-10-31

    of isolated molecules and that of bulk systems. DFT calculated absorption spectra represent quantitative estimates that can be correlated with...spectra, can be correlated with the presence of these hydrocarbons (see reference [1]). Accordingly, the molecular structure and IR absorption spectra of...associated with different types of ambient molecules, e.g., H2O, in order to apply background subtraction or spectral-signature- correlation algorithms

  7. Experimental determination of the absorption cross-section and molar extinction coefficient of CdSe and CdTe nanowires.

    PubMed

    Protasenko, Vladimir; Bacinello, Daniel; Kuno, Masaru

    2006-12-21

    Absorption cross-sections and corresponding molar extinction coefficients of solution-based CdSe and CdTe nanowires (NWs) are determined. Chemically grown semiconductor NWs are made via a recently developed solution-liquid-solid (SLS) synthesis, employing low melting Au/Bi bimetallic nanoparticle "catalysts" to induce one-dimensional (1D) growth. Resulting wires are highly crystalline and have diameters between 5 and 12 nm as well as lengths exceeding 10 microm. Narrow diameters, below twice the corresponding bulk exciton Bohr radius of each material, place CdSe and CdTe NWs within their respective intermediate to weak confinement regimes. Supporting this are solution linear absorption spectra of NW ensembles showing blue shifts relative to the bulk band gap as well as structure at higher energies. In the case of CdSe, the wires exhibit band edge emission as well as strong absorption/emission polarization anisotropies at the ensemble and single-wire levels. Analogous photocurrent polarization anisotropies have been measured in recently developed CdSe NW photodetectors. To further support fundamental NW optical/electrical studies as well as to promote their use in device applications, experimental absorption cross-sections are determined using correlated transmission electron microscopy, UV/visible extinction spectroscopy, and inductively coupled plasma atomic emission spectroscopy. Measured CdSe NW cross-sections for 1 microm long wires (diameters, 6-42 nm) range from 6.93 x 10(-13) to 3.91 x 10(-11) cm2 at the band edge (692-715 nm, 1.73-1.79 eV) and between 3.38 x 10(-12) and 5.50 x 10(-11) cm2 at 488 nm (2.54 eV). Similar values are obtained for 1 microm long CdTe NWs (diameters, 7.5-11.5 nm) ranging from 4.32 x 10(-13) to 5.10 x 10(-12) cm2 at the band edge (689-752 nm, 1.65-1.80 eV) and between 1.80 x 10(-12) and 1.99 x 10(-11) cm2 at 2.54 eV. These numbers compare well with previous theoretical estimates of CdSe/CdTe NW cross-sections far to the blue of the

  8. Effects of acoustic- and optical-phonon sidebands on the fundamental optical-absorption edge in crystals and disordered semiconductors

    NASA Astrophysics Data System (ADS)

    Grein, C. H.; John, Sajeev

    1990-04-01

    We present the results of a parameter-free first-principles theory for the fine structure of the Urbach optical-absorption edge in crystalline and disordered semiconductors. The dominant features are recaptured by means of a simple physical argument based on the most probable potential-well analogy. At finite temperatures, the overall linear exponential Urbach behavior of the subgap optical-absorption coefficient is a consequence of multiple LA-phonon emission and absorption sidebands that accompany the electronic transition. The fine structure of subgap absorption spectra observed in some materials is accounted for by multiple TO-, LO-, and TA-phonon absorption and emission sidebands. Good agreement is found with experimental data on crystalline silicon. The effects of nonadiabaticity in the electron-phonon interaction are calculated.

  9. Comparison of absorption spectra of adenocarcinoma and squamous cell carcinoma cervical tissue

    NASA Astrophysics Data System (ADS)

    Peresunko, O. P.; Zelinska, N. V.; Prydij, O. G.; Zymnyakov, D. A.; Ushakova, O. V.

    2013-12-01

    We studied a methods of assessment of a connective tissue of cervix in terms of specific volume of fibrous component and an optical density of staining of connective tissue fibers in the stroma of squamous cancer and cervix adenocarcinoma. An absorption spectra of blood plasma of the patients suffering from squamous cancer and cervix adenocarcinoma both before the surgery and in postsurgical periods were obtained. Linear dichroism measurements transmittance in polarized light at different orientations of the polarization plane relative to the direction of the dominant orientation in the structure of the sample of biotissues of stroma of squamous cancer and cervix adenocarcinoma were carried. Results of the investigation of the tumor tissues showed that the magnitude of the linear dichroism Δ is insignificant in the researched spectral range λ=280-840 nm and specific regularities in its change observed short-wave ranges.

  10. Examination of the Measurement of Absorption Using the Reverberant Room Method for Highly Absorptive Acoustic Foam

    NASA Technical Reports Server (NTRS)

    Hughes, William O.; McNelis, Anne M.; Chris Nottoli; Eric Wolfram

    2015-01-01

    The absorption coefficient for material specimens are needed to quantify the expected acoustic performance of that material in its actual usage and environment. The ASTM C423-09a standard, "Standard Test Method for Sound Absorption and Sound Absorption Coefficients by the Reverberant Room Method" is often used to measure the absorption coefficient of material test specimens. This method has its basics in the Sabine formula. Although widely used, the interpretation of these measurements are a topic of interest. For example, in certain cases the measured Sabine absorption coefficients are greater than 1.0 for highly absorptive materials. This is often attributed to the diffraction edge effect phenomenon. An investigative test program to measure the absorption properties of highly absorbent melamine foam has been performed at the Riverbank Acoustical Laboratories. This paper will present and discuss the test results relating to the effect of the test materials' surface area, thickness and edge sealing conditions. A follow-on paper is envisioned that will present and discuss the results relating to the spacing between multiple piece specimens, and the mounting condition of the test specimen.

  11. Vibrational, X-ray absorption, and Mössbauer spectra of sulfate minerals from the weathered massive sulfide deposit at Iron Mountain, California

    USGS Publications Warehouse

    Majzlan, Juraj; Alpers, Charles N.; Bender Koch, Christian; McCleskey, R. Blaine; Myneni, Satish B.C.; Neil, John M.

    2011-01-01

    The Iron Mountain Mine Superfund site in California is a prime example of an acid mine drainage (AMD) system with well developed assemblages of sulfate minerals typical for such settings. Here we present and discuss the vibrational (infrared), X-ray absorption, and M??ssbauer spectra of a number of these phases, augmented by spectra of a few synthetic sulfates related to the AMD phases. The minerals and related phases studied in this work are (in order of increasing Fe2O3/FeO): szomolnokite, rozenite, siderotil, halotrichite, r??merite, voltaite, copiapite, monoclinic Fe2(SO4)3, Fe2(SO4)3??5H2O, kornelite, coquimbite, Fe(SO4)(OH), jarosite and rhomboclase. Fourier transform infrared spectra in the region 750-4000cm-1 are presented for all studied phases. Position of the FTIR bands is discussed in terms of the vibrations of sulfate ions, hydroxyl groups, and water molecules. Sulfur K-edge X-ray absorption near-edge structure (XANES) spectra were collected for selected samples. The feature of greatest interest is a series of weak pre-edge peaks whose position is determined by the number of bridging oxygen atoms between Fe3+ octahedra and sulfate tetrahedra. M??ssbauer spectra of selected samples were obtained at room temperature and 80K for ferric minerals jarosite and rhomboclase and mixed ferric-ferrous minerals r??merite, voltaite, and copiapite. Values of Fe2+/[Fe2++Fe3+] determined by M??ssbauer spectroscopy agree well with those determined by wet chemical analysis. The data presented here can be used as standards in spectroscopic work where spectra of well-characterized compounds are required to identify complex mixtures of minerals and related phases. ?? 2011 Elsevier B.V.

  12. Vibrational, X-ray absorption, and Mössbauer spectra of sulfate minerals from the weathered massive sulfide deposit at Iron Mountain, California

    USGS Publications Warehouse

    Majzlan, Juraj; Alpers, Charles N.; Bender Koch, Christian; McCleskey, R. Blaine; Myneni, Satish B.C.; Neil, John M.

    2014-01-01

    The Iron Mountain Mine Superfund site in California is a prime example of an acid mine drainage (AMD) system with well developed assemblages of sulfate minerals typical for such settings. Here we present and discuss the vibrational (infrared), X-ray absorption, and Mössbauer spectra of a number of these phases, augmented by spectra of a few synthetic sulfates related to the AMD phases. The minerals and related phases studied in this work are (in order of increasing Fe2O3/FeO): szomolnokite, rozenite, siderotil, halotrichite, römerite, voltaite, copiapite, monoclinic Fe2(SO4)3, Fe2(SO4)3·5H2O, kornelite, coquimbite, Fe(SO4)(OH), jarosite and rhomboclase. Fourier transform infrared spectra in the region 750–4000 cm−1 are presented for all studied phases. Position of the FTIR bands is discussed in terms of the vibrations of sulfate ions, hydroxyl groups, and water molecules. Sulfur K-edge X-ray absorption near-edge structure (XANES) spectra were collected for selected samples. The feature of greatest interest is a series of weak pre-edge peaks whose position is determined by the number of bridging oxygen atoms between Fe3+ octahedra and sulfate tetrahedra. Mössbauer spectra of selected samples were obtained at room temperature and 80 K for ferric minerals jarosite and rhomboclase and mixed ferric–ferrous minerals römerite, voltaite, and copiapite. Values of Fe2+/[Fe2+ + Fe3+] determined by Mössbauer spectroscopy agree well with those determined by wet chemical analysis. The data presented here can be used as standards in spectroscopic work where spectra of well-characterized compounds are required to identify complex mixtures of minerals and related phases.

  13. Frequency-domain method for measuring spectral properties in multiple-scattering media: methemoglobin absorption spectrum in a tissuelike phantom

    NASA Astrophysics Data System (ADS)

    Fishkin, Joshua B.; So, Peter T. C.; Cerussi, Albert E.; Gratton, Enrico; Fantini, Sergio; Franceschini, Maria Angela

    1995-03-01

    We have measured the optical absorption and scattering coefficient spectra of a multiple-scattering medium (i.e., a biological tissue-simulating phantom comprising a lipid colloid) containing methemoglobin by using frequency-domain techniques. The methemoglobin absorption spectrum determined in the multiple-scattering medium is in excellent agreement with a corrected methemoglobin absorption spectrum obtained from a steady-state spectrophotometer measurement of the optical density of a minimally scattering medium. The determination of the corrected methemoglobin absorption spectrum takes into account the scattering from impurities in the methemoglobin solution containing no lipid colloid. Frequency-domain techniques allow for the separation of the absorbing from the scattering properties of multiple-scattering media, and these techniques thus provide an absolute

  14. Absorption coefficients of CFC-11 and CFC-12 needed for atmospheric remote sensing and global warming studies

    NASA Technical Reports Server (NTRS)

    Varanasi, Prasad

    1992-01-01

    Spectral absorption coefficients k(v) in the atmospheric window are reported for CFC-11 and CFC-12. Data obtained with a grating spectrometer are compared with NCAR cross sections and measurements of k(v) made with a tunable diode laser spectrometer at various temperature-pressure combinations representing tangent heights or layers in the atmosphere are presented. The results are suitable for atmospheric remote sensing and global warming studies.

  15. Electronic absorption spectroscopy of matrix-isolated polycyclic aromatic hydrocarbon cations. I - The naphthalene cation (C10H8/+/)

    NASA Technical Reports Server (NTRS)

    Salama, F.; Allamandola, L. J.

    1991-01-01

    The ultraviolet, visible, and near-infrared absorption spectra of naphthalene (C10H8) and its radical ion (C10H8/+/), formed by vacuum ultraviolet irradiation, were measured in argon and neon matrices at 4.2 K. The associated vibronic band systems and their spectroscopic assignments are discussed together with the physical and chemical conditions governing ion production in the solid phase. The absorption coefficients were calculated for the ion and found lower than previous values, presumably due to the low polarizability of the neon matrix.

  16. Quantifying the effect of finite spectral bandwidth on extinction coefficient of species in laser absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Singh, Manjeet; Singh, Jaswant; Singh, Baljit; Ghanshyam, C.

    2016-11-01

    The aim of this study is to quantify the finite spectral bandwidth effect on laser absorption spectroscopy for a wide-band laser source. Experimental analysis reveals that the extinction coefficient of an analyte is affected by the bandwidth of the spectral source, which may result in the erroneous conclusions. An approximate mathematical model has been developed for optical intensities having Gaussian line shape, which includes the impact of source's spectral bandwidth in the equation for spectroscopic absorption. This is done by introducing a suitable first order and second order bandwidth approximation in the Beer-Lambert law equation for finite bandwidth case. The derived expressions were validated using spectroscopic analysis with higher SBW on a test sample, Rhodamine B. The concentrations calculated using proposed approximation, were in significant agreement with the true values when compared with those calculated with conventional approach.

  17. Human biokinetics of strontium. Part I: intestinal absorption rate and its impact on the dose coefficient of 90Sr after ingestion.

    PubMed

    Li, Wei Bo; Höllriegl, Vera; Roth, Paul; Oeh, Uwe

    2006-07-01

    Intestinal absorption of strontium (Sr) in thirteen healthy adult German volunteers has been investigated by simultaneous oral and intravenous administration of two stable tracer isotopes, i.e. (84)Sr and (86)Sr. The measured Sr tracer concentration in plasma was analyzed using the convolution integral technique to obtain the intestinal absorption rate. The results showed that the Sr labeled in different foodstuffs was absorbed into the body fluids in a large range of difference. The maximum Sr absorption rates were observed within 60-120 min after administration. The rate of absorption is used to evaluate the intestinal absorption fraction, i.e. the f (1) value for various foodstuffs. The equivalent and effective dose coefficients for ingestion of (90)Sr were calculated using these f (1) values, and they were compared with those recommended by the International Commission on Radiological Protection (ICRP). The geometric and arithmetic means of the f (1) values are 0.38 and 0.45 associated with a geometric standard deviation and a standard deviation of 1.88 and 0.22, respectively. The 90% confidence interval of the f (1) values obtained in the present study ranges from 0.13 to 0.98. Expressed as the ratio of the 95 and 50% percentiles of the estimated probability, the uncertainty for the f (1) value corresponds to a factor of 2.58. The effective dose coefficients of (90)Sr after ingestion are 6.1 x 10(-9) Sv Bq(-1) for an f(1) value of 0.05, 1.0 x 10(-8) Sv Bq(-1) for 0.1, 1.9 x 10(-8) Sv Bq(-1) for 0.2, 2.8 x 10(-8) Sv Bq(-1) for 0.3, 3.6 x 10(-8) Sv Bq(-1) for 0.4, 5.3 x 10(-8) Sv Bq(-1) for 0.6, 7.1 x 10(-8) Sv Bq(-1) for 0.8, and 7.9 x 10(-8) Sv Bq(-1) for 0.9, respectively. Taking the effective dose coefficient of 2.8 x 10(-8) Sv Bq(-1) for an f (1) value of 0.3, which is recommended by the ICRP, as a reference, the effective dose coefficient of (90)Sr after ingestion varies by a factor of 2.8 when the f (1) value changes by a factor of 3, i.e. it decreases

  18. Full-potential theoretical investigations of electron inelastic mean free paths and extended x-ray absorption fine structure in molybdenum.

    PubMed

    Chantler, C T; Bourke, J D

    2014-04-09

    X-ray absorption fine structure (XAFS) spectroscopy is one of the most robust, adaptable, and widely used structural analysis tools available for a range of material classes from bulk solids to aqueous solutions and active catalytic structures. Recent developments in XAFS theory have enabled high-accuracy calculations of spectra over an extended energy range using full-potential cluster modelling, and have demonstrated particular sensitivity in XAFS to a fundamental electron transport property-the electron inelastic mean free path (IMFP). We develop electron IMFP theory using a unique hybrid model that simultaneously incorporates second-order excitation losses, while precisely accounting for optical transitions dictated by the complex band structure of the solid. These advances are coupled with improved XAFS modelling to determine wide energy-range absorption spectra for molybdenum. This represents a critical test case of the theory, as measurements of molybdenum K-edge XAFS represent the most accurate determinations of XAFS spectra for any material. We find that we are able to reproduce an extended range of oscillatory structure in the absorption spectrum, and demonstrate a first-time theoretical determination of the absorption coefficient of molybdenum over the entire extended XAFS range utilizing a full-potential cluster model.

  19. Backscattering and absorption coefficients for electrons: Solutions of invariant embedding transport equations using a method of convergence

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Figueroa, C.; Brizuela, H.; Heluani, S. P.

    2014-05-21

    The backscattering coefficient is a magnitude whose measurement is fundamental for the characterization of materials with techniques that make use of particle beams and particularly when performing microanalysis. In this work, we report the results of an analytic method to calculate the backscattering and absorption coefficients of electrons in similar conditions to those of electron probe microanalysis. Starting on a five level states ladder model in 3D, we deduced a set of integro-differential coupled equations of the coefficients with a method know as invariant embedding. By means of a procedure proposed by authors, called method of convergence, two types ofmore » approximate solutions for the set of equations, namely complete and simple solutions, can be obtained. Although the simple solutions were initially proposed as auxiliary forms to solve higher rank equations, they turned out to be also useful for the estimation of the aforementioned coefficients. In previous reports, we have presented results obtained with the complete solutions. In this paper, we present results obtained with the simple solutions of the coefficients, which exhibit a good degree of fit with the experimental data. Both the model and the calculation method presented here can be generalized to other techniques that make use of different sorts of particle beams.« less

  20. Linear and nonlinear magneto-optical absorption coefficients and refractive index changes in graphene

    NASA Astrophysics Data System (ADS)

    Nguyen, Chuong V.; Hieu, Nguyen N.; Duque, Carlos A.; Poklonski, Nikolai A.; Ilyasov, Victor V.; Hieu, Nguyen V.; Dinh, Le; Quang, Quach K.; Tung, Luong V.; Phuc, Huynh V.

    2017-07-01

    In this work, we study the magneto-optical absorption coefficients (MOACs) and refractive index changes (RICs) in monolayer graphene under a perpendicular magnetic field using the compact density matrix approach. The results are presented as functions of photon energy and external magnetic field. Our results show that there are three groups of the possible transitions: the intra-band, the mixed, and the inter-band transitions; in which the MOACs and the RICs appear as a series of peaks in both intra-band and inter-band transitions between the Landau levels. With an increase magnetic field, the resonant peaks give a blue-shift and reduce in their amplitudes. These results suggest a potential application of monolayer graphene in nanoscale electronic and magneto-optical devices.

  1. Free-free absorption coefficients and Gaunt factors for dense hydrogen-like stellar plasma

    NASA Astrophysics Data System (ADS)

    Srećković, V. A.; Sakan, N.; Šulić, D.; Jevremović, D.; Ignjatović, Lj M.; Dimitrijević, M. S.

    2018-03-01

    In this work, we present a study dedicated to determination of the inverse bremsstrahlung absorption coefficients and the corresponding Gaunt factor of dense hydrogen-like stellar-atmosphere plasmas where electron density and temperature change in a wide range. A method suitable for this wide range is suggested and applied to the inner layers of the solar atmosphere, as well as the plasmas of partially ionized layers of some other stellar atmospheres (for example, some DA and DB white dwarfs) where the electron densities vary from 1014 cm-3 to 1020 cm-3 and temperatures from 6000 K to 300 000 K in the wavelength region of 10 nm ≤ λ ≤ 3000 nm. The results of the calculations are illustrated by the corresponding figures and tables.

  2. Absorption and scattering coefficient dependence of laser-Doppler flowmetry models for large tissue volumes.

    PubMed

    Binzoni, T; Leung, T S; Rüfenacht, D; Delpy, D T

    2006-01-21

    Based on quasi-elastic scattering theory (and random walk on a lattice approach), a model of laser-Doppler flowmetry (LDF) has been derived which can be applied to measurements in large tissue volumes (e.g. when the interoptode distance is >30 mm). The model holds for a semi-infinite medium and takes into account the transport-corrected scattering coefficient and the absorption coefficient of the tissue, and the scattering coefficient of the red blood cells. The model holds for anisotropic scattering and for multiple scattering of the photons by the moving scatterers of finite size. In particular, it has also been possible to take into account the simultaneous presence of both Brownian and pure translational movements. An analytical and simplified version of the model has also been derived and its validity investigated, for the case of measurements in human skeletal muscle tissue. It is shown that at large optode spacing it is possible to use the simplified model, taking into account only a 'mean' light pathlength, to predict the blood flow related parameters. It is also demonstrated that the 'classical' blood volume parameter, derived from LDF instruments, may not represent the actual blood volume variations when the investigated tissue volume is large. The simplified model does not need knowledge of the tissue optical parameters and thus should allow the development of very simple and cost-effective LDF hardware.

  3. Explaining Space-Weathering Effects on UV-Vis-NIR Spectra with Light-Scattering Methods

    NASA Astrophysics Data System (ADS)

    Penttilä, Antti; Väisänen, Timo; Martikainen, Julia; Kohout, Tomas; Muinonen, Karri

    2015-11-01

    Space-weathering (SW) introduces changes to the asteroid reflectance spectra. In silicate minerals, SW is known to darken the spectra and reduce the silicate absorption band depths. In olivine, the neutral slope in Vis and NIR wavelengths is becoming positive [1]. In pyroxene, the positive slope over the 1 µm absorption band is decreasing, and the negative slope over the 2 µm band is increasing towards positive values with increasing SW [2].The SW process generates small nanophase iron (npFe0) inclusions in the surface layers of mineral grains. The inclusions are some tens of nm in size. This mechanism has been linked to the Moon and to a certain extent also to the silicate-rich S-complex asteroids.We offer two simple explanations from light-scattering theory to explain the SW effects on the spectral slope. First, the npFe0 will introduce a posititive general slope (reddening) to the spectra. The npFe0 inclusions (~10 nm) are in the Rayleigh domain with the wavelength λ in the UV-Vis-NIR range. Their absorption cross-section follows approximately the 1/λ-relation from the Rayleigh theory. Absorption is more efficient in the UV than in the NIR wavelengths, therefore the spectra are reddening.Second, the effect of npFe0 absorption is more efficient for originally brighter reflectance values. Explanation combines the effective medium theory and the exponential attenuation in the medium. When adding a small amount of highly absorbing npFe0, the effective absorption coefficient k will increase approximately the same Δk for the typical values of silicates. This change will increase more effectively the exponential attenuation if the original k was very small, and thus the reflectance high. Therefore, both positive and negative spectral slopes will approach zero with SW.We conclude that the SW will introduce a general reddening, and neutralize local slopes. This is verified using the SIRIS code [3], which combines geometric optics with small internal diffuse

  4. Absorption spectra and optical transitions in InAs/GaAs self-assembled quantum dots

    NASA Astrophysics Data System (ADS)

    Cusack, M. A.; Briddon, P. R.; Jaros, M.

    1997-08-01

    We have applied the multiband effective mass/valence force field method to the calculation of optical transitions and absorption spectra in InAs/GaAs self-organized dots of different sizes. We have found that the apparently conflicting assignments of luminescence features to optical transitions in different experiments are in fact entirely compatible with each other. Whether the optical signature of a dot is constructed from transitions between states of the same quantum numbers, or via additional processes between the ground conduction state and a low-lying valence state depends on the aspect ratio of the quantum dot radius and height. The states involved can be predicted from a simple particle in a rigid rectangular box model.

  5. Precise methane absorption measurements in the 1.64 μm spectral region for the MERLIN mission.

    PubMed

    Delahaye, T; Maxwell, S E; Reed, Z D; Lin, H; Hodges, J T; Sung, K; Devi, V M; Warneke, T; Spietz, P; Tran, H

    2016-06-27

    In this article we describe a high-precision laboratory measurement targeting the R(6) manifold of the 2 ν 3 band of 12 CH 4 . Accurate physical models of this absorption spectrum will be required by the Franco-German, Methane Remote Sensing LIDAR (MERLIN) space mission for retrievals of atmospheric methane. The analysis uses the Hartmann-Tran profile for modeling line shape and also includes line-mixing effects. To this end, six high-resolution and high signal-to-noise absorption spectra of air-broadened methane were recorded using a frequency-stabilized cavity ring-down spectroscopy apparatus. Sample conditions corresponded to room temperature and spanned total sample pressures of 40 hPa - 1013 hPa with methane molar fractions between 1 μmol mol -1 and 12 μmol mol -1 . All spectroscopic model parameters were simultaneously adjusted in a multispectrum nonlinear least-squares fit to the six measured spectra. Comparison of the fitted model to the measured spectra reveals the ability to calculate the room-temperature, methane absorption coefficient to better than 0.1% at the on-line position of the MERLIN mission. This is the first time that such fidelity has been reached in modeling methane absorption in the investigated spectral region, fulfilling the accuracy requirements of the MERLIN mission. We also found excellent agreement when comparing the present results with measurements obtained over different pressure conditions and using other laboratory techniques. Finally, we also evaluated the impact of these new spectral parameters on atmospheric transmissions spectra calculations.

  6. Precise methane absorption measurements in the 1.64 μm spectral region for the MERLIN mission

    PubMed Central

    Delahaye, T.; Maxwell, S.E.; Reed, Z.D.; Lin, H.; Hodges, J.T.; Sung, K.; Devi, V.M.; Warneke, T.; Spietz, P.; Tran, H.

    2016-01-01

    In this article we describe a high-precision laboratory measurement targeting the R(6) manifold of the 2ν3 band of 12CH4. Accurate physical models of this absorption spectrum will be required by the Franco-German, Methane Remote Sensing LIDAR (MERLIN) space mission for retrievals of atmospheric methane. The analysis uses the Hartmann-Tran profile for modeling line shape and also includes line-mixing effects. To this end, six high-resolution and high signal-to-noise absorption spectra of air-broadened methane were recorded using a frequency-stabilized cavity ring-down spectroscopy apparatus. Sample conditions corresponded to room temperature and spanned total sample pressures of 40 hPa – 1013 hPa with methane molar fractions between 1 μmol mol−1 and 12 μmol mol−1. All spectroscopic model parameters were simultaneously adjusted in a multispectrum nonlinear least-squares fit to the six measured spectra. Comparison of the fitted model to the measured spectra reveals the ability to calculate the room-temperature, methane absorption coefficient to better than 0.1% at the on-line position of the MERLIN mission. This is the first time that such fidelity has been reached in modeling methane absorption in the investigated spectral region, fulfilling the accuracy requirements of the MERLIN mission. We also found excellent agreement when comparing the present results with measurements obtained over different pressure conditions and using other laboratory techniques. Finally, we also evaluated the impact of these new spectral parameters on atmospheric transmissions spectra calculations. PMID:27551656

  7. Signatures of a conical intersection in photofragment distributions and absorption spectra: Photodissociation in the Hartley band of ozone

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Picconi, David; Grebenshchikov, Sergy Yu., E-mail: Sergy.Grebenshchikov@ch.tum.de

    Photodissociation of ozone in the near UV is studied quantum mechanically in two excited electronic states coupled at a conical intersection located outside the Franck-Condon zone. The calculations, performed using recent ab initio PESs, provide an accurate description of the photodissociation dynamics across the Hartley/Huggins absorption bands. The observed photofragment distributions are reproduced in the two electronic dissociation channels. The room temperature absorption spectrum, constructed as a Boltzmann average of many absorption spectra of rotationally excited parent ozone, agrees with experiment in terms of widths and intensities of diffuse structures. The exit channel conical intersection contributes to the coherent broadeningmore » of the absorption spectrum and directly affects the product vibrational and translational distributions. The photon energy dependences of these distributions are strikingly different for fragments created along the adiabatic and the diabatic paths through the intersection. They can be used to reverse engineer the most probable geometry of the non-adiabatic transition. The angular distributions, quantified in terms of the anisotropy parameter β, are substantially different in the two channels due to a strong anticorrelation between β and the rotational angular momentum of the fragment O{sub 2}.« less

  8. FIRST ULTRAVIOLET REFLECTANCE SPECTRA OF PLUTO AND CHARON BY THE HUBBLE SPACE TELESCOPE COSMIC ORIGINS SPECTROGRAPH: DETECTION OF ABSORPTION FEATURES AND EVIDENCE FOR TEMPORAL CHANGE

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Stern, S. A.; Spencer, J. R.; Shinn, A.

    We have observed the mid-UV spectra of both Pluto and its large satellite, Charon, at two rotational epochs using the Hubble Space Telescope (HST) Cosmic Origins Spectrograph (COS) in 2010. These are the first HST/COS measurements of Pluto and Charon. Here we describe the observations and our reduction of them, and present the albedo spectra, average mid-UV albedos, and albedo slopes we derive from these data. These data reveal evidence for a strong absorption feature in the mid-UV spectrum of Pluto; evidence for temporal change in Pluto's spectrum since the 1990s is reported, and indirect evidence for a near-UV spectralmore » absorption on Charon is also reported.« less

  9. Experimental technique for simultaneous measurement of absorption-, emission cross-sections, and background loss coefficient in doped optical fibers

    NASA Astrophysics Data System (ADS)

    Karimi, M.; Seraji, F. E.

    2010-01-01

    We report a new simple technique for the simultaneous measurements of absorption-, emission cross-sections, background loss coefficient, and dopant density of doped optical fibers with low dopant concentration. Using our proposed technique, the experimental characterization of a sample Ge-Er-doped optical fiber is presented, and the results are analyzed and compared with other reports. This technique is suitable for production line of doped optical fibers.

  10. C IV broad absorption line variability in QSO spectra from SDSS surveys

    NASA Astrophysics Data System (ADS)

    De Cicco, Demetra; Brandt, William N.; Grier, Catherine J.; Paolillo, Maurizio

    2017-12-01

    Broad absorption lines (BALs) in the spectra of quasi-stellar objects (QSOs) are thought to arise from outflowing winds along our line of sight; winds, in turn, are thought to originate from the accretion disk, in the very surroundings of the central supermassive black hole (SMBH), and they likely affect the accretion process onto the SMBH, as well as galaxy evolution. BALs can exhibit variability on timescales typically ranging from months to years. We analyze such variability and, in particular, BAL disappearance, with the aim of investigating QSO physics and structure. We search for disappearing C IV BALs in the spectra of 1319 QSOs from different programs from the Sloan Digital Sky Survey (SDSS); the analyzed time span covers 0.28-4.9 yr (rest frame), and the source redshifts are in the range 1.68-4.27. This is to date the largest sample ever used for such a study. We find 67 sources (5.1_{-0.6}^{+0.7}% of the sample) with 73 disappearing BALs in total (3.9_{-0.5}^{+0.5}% of the total number of C IV BALs detected; some sources have more than one BAL that disappears). We compare the sample of disappearing BALs to the whole sample of BALs, and investigate the correlation in the variability of multiple troughs in the same spectrum. We also derive estimates of the average lifetime of a BAL trough and of the BAL phase along our line of sight.

  11. Cost and sensitivity of restricted active-space calculations of metal L-edge X-ray absorption spectra.

    PubMed

    Pinjari, Rahul V; Delcey, Mickaël G; Guo, Meiyuan; Odelius, Michael; Lundberg, Marcus

    2016-02-15

    The restricted active-space (RAS) approach can accurately simulate metal L-edge X-ray absorption spectra of first-row transition metal complexes without the use of any fitting parameters. These characteristics provide a unique capability to identify unknown chemical species and to analyze their electronic structure. To find the best balance between cost and accuracy, the sensitivity of the simulated spectra with respect to the method variables has been tested for two models, [FeCl6 ](3-) and [Fe(CN)6 ](3-) . For these systems, the reference calculations give deviations, when compared with experiment, of ≤1 eV in peak positions, ≤30% for the relative intensity of major peaks, and ≤50% for minor peaks. When compared with these deviations, the simulated spectra are sensitive to the number of final states, the inclusion of dynamical correlation, and the ionization potential electron affinity shift, in addition to the selection of the active space. The spectra are less sensitive to the quality of the basis set and even a double-ζ basis gives reasonable results. The inclusion of dynamical correlation through second-order perturbation theory can be done efficiently using the state-specific formalism without correlating the core orbitals. Although these observations are not directly transferable to other systems, they can, together with a cost analysis, aid in the design of RAS models and help to extend the use of this powerful approach to a wider range of transition metal systems. © 2015 Wiley Periodicals, Inc.

  12. Method for Calculating the Optical Diffuse Reflection Coefficient for the Ocular Fundus

    NASA Astrophysics Data System (ADS)

    Lisenko, S. A.; Kugeiko, M. M.

    2016-07-01

    We have developed a method for calculating the optical diffuse reflection coefficient for the ocular fundus, taking into account multiple scattering of light in its layers (retina, epithelium, choroid) and multiple refl ection of light between layers. The method is based on the formulas for optical "combination" of the layers of the medium, in which the optical parameters of the layers (absorption and scattering coefficients) are replaced by some effective values, different for cases of directional and diffuse illumination of the layer. Coefficients relating the effective optical parameters of the layers and the actual values were established based on the results of a Monte Carlo numerical simulation of radiation transport in the medium. We estimate the uncertainties in retrieval of the structural and morphological parameters for the fundus from its diffuse reflectance spectrum using our method. We show that the simulated spectra correspond to the experimental data and that the estimates of the fundus parameters obtained as a result of solving the inverse problem are reasonable.

  13. Absorption spectra of 4f electron transitions of neodymium and erbium with 8-hydroxyquinoline-5-sulphonic acid and diethylamine systems and its analytical application

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wang Naixing; Qi Ping

    1992-06-01

    In this paper the absorption spectra of 4f electron transitions of the systems of neodymium and erbium with 8-hydroxyquinoline-5-sulphonic acid and diethylamine have been studied by normal and third-derivative spectrophotometry. Their molar absorptivities are 80 1.mol{sup {minus}1}.cm{sup {minus}1} for neodymium and 65 1.mol{sup {minus}1}.cm{sup {minus}1} for erbium. Use of the third-derivative spectra, eliminates the interference by other rare earths and increases the sensitivity for Nd and Er. The derivative molar absorptivities are 390 1.mol{sup {minus}1}.cm{sup {minus}1} for Nd and 367 1.mol{sup {minus}1}.cm{sup {minus}1} for Er. The calibration graphs were linear up to 11.8 {mu}g/ml of Nd and 12.3 {mu}g/ml ofmore » Er, respectively. The relative standard deviations evaluated from eleven independent determinations of 7.2 {mu}g/ml (for Nd) and 8.3 {mu}g/ml (for Er) are 1.3% and 1.4%, respectively. The detection limits are 0.2 {mu}g/ml for Nd and 0.3 {mu}g/ml for Er. The method has been developed for determining those two elements in mixture of lanthanides by means of the third-derivative spectra and the analytical results obtained are satisfactory.« less

  14. Absorption profiles of the potassium 4s-4p and 4p-5s lines perturbed by helium

    NASA Astrophysics Data System (ADS)

    Allard, N. F.

    2011-12-01

    An accurate determination of the complete profile including the extreme far wing is required to model the contribution of strong alkali resonance lines to brown dwarf spectra. A unified theory of collisional line profiles has been applied for the evaluation of the absorption coefficients of potassium perturbed by helium. Results are reported here from the optical range to the near-infrared.

  15. Infrared Measurements of Atmospheric Ethane (C2H6) From Aircraft and Ground-Based Solar Absorption Spectra in the 3000/ cm Region

    NASA Technical Reports Server (NTRS)

    Coffey, M. T.; Mankin, W. G.; Goldman, A.; Rinsland, C. P.; Harvey, G. A.; Devi, V. Malathy; Stokes, G. M.

    1985-01-01

    A number or prominent Q-branches or the upsilon(sub 7) band or C2H6 have been identified near 3000/ cm in aircraft and ground-based infrared solar absorption spectra. The aircraft spectra provide the column amount above 12 km at various altitudes. The column amount is strongly correlated with tropopause height and can be described by a constant mixing ratio of 0.46 ppbv in the upper troposphere and a mixing ratio scale height of 3.9 km above the tropopause. The, ground-based spectra yield a column of 9.0 x 10(exp 15) molecules/sq cm above 2.1 km; combining these results implies a tropospheric mixing ratio of approximately 0.63 ppbv.

  16. Infrared measurements of atmospheric ethane (C2H6) from aircraft and ground-based solar absorption spectra in the 3000/cm region

    NASA Technical Reports Server (NTRS)

    Coffey, M. T.; Mankin, W. G.; Goldman, A.; Rinsland, C. P.; Harvey, G. A.; Devi, V. M.; Stokes, G. M.

    1985-01-01

    A number of prominent Q-branches of the nu-7 band of C2H6 have been identified near 3000/cm in aircraft and ground-based infrared solar absorption spectra. The aircraft spectra provide the column amount above 12 km at various altitudes. The column amount is strongly correlated with tropopause height and can be described by a constant mixing ratio of 0.46 ppbv in the upper troposphere and a mixing ratio scale height of 3.9 km above the tropopause. The ground-based spectra yield a column of 9.0 x 10 to the 15th molecules/sq cm above 2.1 km; combining these results implies a tropospheric mixing ratio of approximately 0.63 ppbv.

  17. Complex polarization propagator approach in the restricted open-shell, self-consistent field approximation: the near K-edge X-ray absorption fine structure spectra of allyl and copper phthalocyanine.

    PubMed

    Linares, Mathieu; Stafström, Sven; Rinkevicius, Zilvinas; Ågren, Hans; Norman, Patrick

    2011-05-12

    A presentation of the complex polarization propagator in the restricted open-shell self-consistent field approximation is given. It rests on a formulation of a resonant-convergent, first-order polarization propagator approach that makes it possible to directly calculate the X-ray absorption cross section at a particular frequency without explicitly addressing the excited states. The quality of the predicted X-ray spectra relates only to the type of density functional applied without any separate treatment of dynamical relaxation effects. The method is applied to the calculation of the near K-edge X-ray absorption fine structure spectra of allyl and copper phthalocyanine. Comparison is made between the spectra of the radicals and those of the corresponding cations and anions to assess the effect of the increase of electron charge in the frontier orbital. The method offers the possibility for unique assignment of symmetry-independent atoms. The overall excellent spectral agreement motivates the application of the method as a routine precise tool for analyzing X-ray absorption of large systems of technological interest.

  18. Restricted active space calculations of L-edge X-ray absorption spectra: from molecular orbitals to multiplet states.

    PubMed

    Pinjari, Rahul V; Delcey, Mickaël G; Guo, Meiyuan; Odelius, Michael; Lundberg, Marcus

    2014-09-28

    The metal L-edge (2p → 3d) X-ray absorption spectra are affected by a number of different interactions: electron-electron repulsion, spin-orbit coupling, and charge transfer between metal and ligands, which makes the simulation of spectra challenging. The core restricted active space (RAS) method is an accurate and flexible approach that can be used to calculate X-ray spectra of a wide range of medium-sized systems without any symmetry constraints. Here, the applicability of the method is tested in detail by simulating three ferric (3d(5)) model systems with well-known electronic structure, viz., atomic Fe(3+), high-spin [FeCl6](3-) with ligand donor bonding, and low-spin [Fe(CN)6](3-) that also has metal backbonding. For these systems, the performance of the core RAS method, which does not require any system-dependent parameters, is comparable to that of the commonly used semi-empirical charge-transfer multiplet model. It handles orbitally degenerate ground states, accurately describes metal-ligand interactions, and includes both single and multiple excitations. The results are sensitive to the choice of orbitals in the active space and this sensitivity can be used to assign spectral features. A method has also been developed to analyze the calculated X-ray spectra using a chemically intuitive molecular orbital picture.

  19. Infrared absorption spectra of N(CxF2x+1)3, x = 2-5 perfluoroamines

    NASA Astrophysics Data System (ADS)

    Bernard, François; Papanastasiou, Dimitrios K.; Papadimitriou, Vassileios C.; Burkholder, James B.

    2018-05-01

    Infrared absorption spectra of the perfluoroamines (N(C2F5)3, N(C3F7)3, N(C4F9)3, and N(C5F11)3) were measured over the 500-4000 cm-1 spectral region at 294 K using Fourier transform infrared (FTIR) spectroscopy at 1 cm-1 resolution. Spectral measurements were performed using static measurements of dilute perfluoroamines mixtures and by infusion of the pure compound into a calibrated gas flow. The perfluoroamines absorb strongly in the "atmospheric window" with integrated band strengths (10-17 cm2 molecule-1 cm-1) between 570 and 1500 cm-1 of 59.9, 74.9, 88.9, and 98.7 for N(C2F5)3, N(C3F7)3, N(C4F9)3, and N(C5F11)3, respectively. Radiative efficiencies (RE) for the perfluoroamines were estimated to be 0.61, 0.75, 0.87, and 0.95 W m-2 ppb-1 for atmospherically well-mixed conditions and including a +10% stratospheric temperature correction for N(C2F5)3, N(C3F7)3, N(C4F9)3, and N(C5F11)3, respectively. Theoretical calculations of the perfluoroamines were performed at the B97-1/6-311++G(2df,2p) level of theory and optimized perfluoroamine geometries, vibrational band positions, and band strengths are reported. The theoretically calculated infrared spectra are in good agreement with the experimental spectra, while comparison of individual bands was not attempted due to the significant overlap of vibrational bands in the experimental spectra.

  20. Effects of nanosilver on sound absorption coefficients in solid wood species.

    PubMed

    Taghiyari, Hamid Reza; Esmailpour, Ayoub; Zolfaghari, Habib

    2016-06-01

    Sound absorption coefficients (ACs) were determined in five solid woods (poplar, beech, walnut, mulberry, and fir) in the longitudinal and tangential directions at four different frequencies of 800, 1000, 2000, and 4000 Hz. The length of the longitudinal and tangential specimens was 50-mm and 10-mm, respectively. Separate sets of specimens were impregnated with either nanosilver suspension or water. The size range of nanoparticles was 30-80 nm. Results showed that sound ACs were lower in longitudinal specimens because sound waves could penetrate the open ends of vessels more easily, being trapped and damped there. Impregnation with both nanosilver suspension and water resulted in a significant decrease in the sound ACs. The decrease in the ACs was due to the collapsing and accumulation of perforation plates and cell parts, blocking the way through which waves could pass through the vessels. This caused higher damping due to a phenomenon called vibration decay. Correlation between gas permeability versus sound AC is significantly dependant on the porous structure of individual specimens.

  1. Substituent and solvent effects on electronic spectra of some substituted phenoxyacetic acids.

    PubMed

    Shanthi, M; Kabilan, S

    2007-06-01

    The effects of substituents and solvents have been studied through the absorption spectra of nearly 19 para- and ortho-substituted phenoxyacetic acids in the range of 200-400 nm. The effects of substituent on the absorption spectra of compounds under present investigation are interpreted by correlation of absorption frequencies with simple and extended Hammett equations. Effect of solvent polarity and hydrogen bonding on the absorption spectra are interpreted by means of Kamlet equation and the results are discussed.

  2. Substituent and solvent effects on electronic spectra of some substituted phenoxyacetic acids

    NASA Astrophysics Data System (ADS)

    Shanthi, M.; Kabilan, S.

    2007-06-01

    The effects of substituents and solvents have been studied through the absorption spectra of nearly 19 para- and ortho-substituted phenoxyacetic acids in the range of 200-400 nm. The effects of substituent on the absorption spectra of compounds under present investigation are interpreted by correlation of absorption frequencies with simple and extended Hammett equations. Effect of solvent polarity and hydrogen bonding on the absorption spectra are interpreted by means of Kamlet equation and the results are discussed.

  3. Simulation of X-ray absorption spectra with orthogonality constrained density functional theory.

    PubMed

    Derricotte, Wallace D; Evangelista, Francesco A

    2015-06-14

    Orthogonality constrained density functional theory (OCDFT) [F. A. Evangelista, P. Shushkov and J. C. Tully, J. Phys. Chem. A, 2013, 117, 7378] is a variational time-independent approach for the computation of electronic excited states. In this work we extend OCDFT to compute core-excited states and generalize the original formalism to determine multiple excited states. Benchmark computations on a set of 13 small molecules and 40 excited states show that unshifted OCDFT/B3LYP excitation energies have a mean absolute error of 1.0 eV. Contrary to time-dependent DFT, OCDFT excitation energies for first- and second-row elements are computed with near-uniform accuracy. OCDFT core excitation energies are insensitive to the choice of the functional and the amount of Hartree-Fock exchange. We show that OCDFT is a powerful tool for the assignment of X-ray absorption spectra of large molecules by simulating the gas-phase near-edge spectrum of adenine and thymine.

  4. Circular dichroism and optical absorption spectra of mononuclear and trinuclear chiral Cu(II) amino-alcohol coordinated compounds: A combined theoretical and experimental study

    NASA Astrophysics Data System (ADS)

    Valencia, Israel; Ávila-Torres, Yenny; Barba-Behrens, Norah; Garzón, Ignacio L.

    2015-04-01

    Studies on the physicochemical properties of biomimetic compounds of multicopper oxidases are fundamental to understand their reaction mechanisms and catalytic behavior. In this work, electronic, optical, and chiroptical properties of copper(II) complexes with amino-alcohol chiral ligands are theoretically studied by means of time-dependent density functional theory. The calculated absorption and circular dichroism spectra are compared with experimental measurements of these spectra for an uncoordinated pseudoephedrine derivative, as well as for the corresponding mononuclear and trinuclear copper(II)-coordinated complexes. This comparison is useful to gain insights into their electronic structure, optical absorption and optical activity. The optical absorption and circular dichroism bands of the pseudoephedrine derivative are located in the UV-region. They are mainly due to transitions originated from n to π anti-bonding orbitals of the alcohol and amino groups, as well as from π bonding to π anti-bonding orbitals of carboxyl and phenyl groups. In the case of the mononuclear and trinuclear compounds, additional signals in the visible spectral region are present. In both systems, the origin of these bands is due to charge transfer from ligand to metal and d-d transitions.

  5. Nondestructive Method For Measuring The Scattering Coefficient Of Bulk Material

    NASA Astrophysics Data System (ADS)

    Groenhuis, R. A. J.; ten Bosch, J. J.

    1981-05-01

    During demineralization and remineralization of dental enamel its structure changes resulting in a change of the absorption and scattering coefficients of the enamel. By measuring these coefficients during demineralization and remineralization these processes can be monitored in a non-destructive way. For this purpose an experimental arrangement was made: a fibre illuminates a spot on the sample with monochromatic light with a wave-length between 400 nm and 700 nm; a photomultiplier measures the luminance of the light back-scattered by the sample as a function of the distance from the measuring snot to the spot of illumination. In a Monte Carlo-model this luminance is simulated using the same geometry given the scattering and absorption coefficients in a sample. Then the scattering and absorption coefficients in the sample are determined by selecting the theoretical curve fitting the experimental one. Scattering coefficients below 10 mm-1 and absorption coefficients obtained with this method on calibration samples correspond well with those obtained with another method. Scattering coefficients above 10 mm-1 (paper samples) were measured ton low. This perhaps is caused by the anisotropic structure of paper sheets. The method is very suitable to measure the scattering and absorption coefficients of bulk materials.

  6. Absorption and resonance Raman spectra of Pb2, Pb3 and Pb4 in xenon matrices

    NASA Technical Reports Server (NTRS)

    Stranz, D. D.; Khanna, R. K.

    1980-01-01

    Lead metal was vaporized and trapped in solid xenon at 12K. Electronic absorption and resonance Raman spectra were recorded of the resulting matrix, which was shown to contain Pb2, Pb3, and possibly Pb4 molecular species. The vibrational frequency for Pb2 is determined to be 108/cm for the ground state, with a dissociation energy of 82000/cm. Ad3h symmetry is indicated for the Pb3 species, with nu sub 1=117/cm and nu sub 2 = 96 /cm. The existence of Pb4 is suggested by a fundamental and overtone of 111/cm spacing.

  7. Impact effects of gamma irradiation on the optical and FT infrared absorption spectra of some Nd3+-doped soda lime phosphate glasses

    NASA Astrophysics Data System (ADS)

    Marzouk, M. A.; Elkashef, I. M.; Elbatal, H. A.

    2018-04-01

    The main aim of the present work is to study by two collective optical and FTIR spectral measurements some prepared Nd2O3-doped soda lime phosphate glasses before and after gamma irradiation with dose (9 Mrad). The spectral data reveal two strong UV absorption peaks which are correlated with unavoidable trace iron impurities beside extended additional characteristic bands due to Nd3+ ions. Gamma irradiation on the undoped glass produces slight decrease of the intensity of the UV absorption and the generation of an induced visible band and these effects are controlled with two photochemical reduction of some Fe3+ ions to Fe2+ ions together with the formation of nonbridging oxygen hole center (NBOHC) or phosphorous oxygen hole center (POHC). The impact effect of gamma irradiation on the spectra of Nd2O3-doped glasses is limited due to suggested shielding behavior of neodymium ions. FT-infrared spectra show vibrational modes due to main Q2-Q3 phosphate groups and the response of gamma irradiation of the IR spectra is low and the limited variations are related to suggested changes in some bond angles and bond lengths which cause the observed decrease to the intensities of some IR bands.

  8. Effects of solvent polarity on the absorption and fluorescence spectra of chlorogenic acid and caffeic acid compounds: determination of the dipole moments.

    PubMed

    Belay, Abebe; Libnedengel, Ermias; Kim, Hyung Kook; Hwang, Yoon-Hwae

    2016-02-01

    The effects of solvent polarity on absorption and fluorescence spectra of biologically active compounds (chlorogenic acid (CGA) and caffeic acids (CA)) have been investigated. In both spectra pronounced solvatochromic effects were observed with shift of emission peaks larger than the corresponding UV-vis electronic absorption spectra. From solvatochromic theory the ground and excited-state dipole moments were determined experimentally and theoretically. The differences between the excited and ground state dipole moment determined by Bakhshiev, Kawski-Chamma-Viallet and Reichardt equations are quite similar. The ground and excited-state dipole moments were determined by theoretical quantum chemical calculation using density function theory (DFT) method (Gaussian 09) and were also similar to the experimental results. The HOMO-LUMO energy band gaps for CGA and CFA were calculated and found to be 4.1119 and 1.8732 eV respectively. The results also indicated the CGA molecule is more stable than that of CFA. It was also observed that in both compounds the excited state possesses a higher dipole moment than that of the ground state. This confirms that the excited state of the hydroxycinnamic compounds is more polarized than that of the ground state and therefore is more sensitive to the solvent. Copyright © 2015 John Wiley & Sons, Ltd.

  9. Frequency-agile, rapid scanning spectroscopy: absorption sensitivity of 2 × 10-12 cm-1 Hz-1/2 with a tunable diode laser

    NASA Astrophysics Data System (ADS)

    Long, D. A.; Truong, G.-W.; van Zee, R. D.; Plusquellic, D. F.; Hodges, J. T.

    2014-03-01

    We present ultrasensitive measurements of molecular absorption using frequency-agile rapid scanning, cavity ring-down spectroscopy with an external-cavity diode laser. A microwave source that drives an electro-optic phase modulator with a bandwidth of 20 GHz generates pairs of sidebands on the probe laser. The optical cavity provides for high sensitivity and filters the carrier and all but a single, selected sideband. Absorption spectra were acquired by stepping the tunable sideband from mode-to-mode of the ring-down cavity at a rate that was limited only by the cavity decay time. This approach allows for scanning rates of 8 kHz per cavity resonance, a minimum detectable absorption coefficient of 1.7 × 10-11 cm-1 after only 20 ms of averaging, and a noise-equivalent absorption coefficient of 1.7 × 10-12 cm-1 Hz-1/2. By comparison with cavity-enhanced laser absorption spectrometers reported in the literature, the present system is, to the best of our knowledge, among the most sensitive and has by far the highest spectrum scanning rate.

  10. Multiconfigurational and DFT analyses of the electromeric formulation and UV-vis absorption spectra of the superoxide adduct of ferrous superoxide reductase.

    PubMed

    Attia, Amr A A; Cioloboc, Daniela; Lupan, Alexandru; Silaghi-Dumitrescu, Radu

    2016-12-01

    The putative initial adduct of ferrous superoxide reductase (SOR) with superoxide has been alternatively formulated as ferric-peroxo or ferrous-superoxo. The ~600-nm UV-vis absorption band proposed to be assigned to this adduct (either as sole intermediate in the SOR catalytic cycle, or as one of the two intermediates) has recently been interpreted as due to a ligand-to-metal charge transfer, involving thiolate and superoxide in a ferrous complex, contrary to an alternative assignment as a predominantly cysteine thiolate-to-ferric charge transfer in a ferric-peroxo electromer. In an attempt to clarify the electromeric formulation of this adduct, we report a computational study using a multiconfigurational complete active space self-consistent field (MC-CASSCF) wave function approach as well as modelling the UV-vis absorption spectra with time-dependent density functional theory (TD-DFT). The MC-CASSCF calculations disclose a weak interaction between iron and the dioxygenic ligand and a dominant configuration with an essentially ferrous-superoxo character. The computed UV-vis absorption spectra reveal a marked dependence on the choice of density functional - both in terms of location of bands and in terms of orbital contributors. For the main band in the visible region, besides the recently reported thiolate-to-superoxide charge transfer, a more salient, and less functional-dependent, feature is a thiolate-to-ferric iron charge transfer, consistent with a ferric-peroxo electromer. By contrast, the computed UV-vis spectra of a ferric-hydroperoxo SOR model match distinctly better (and with no qualitative dependence on the DFT methodology) the 600-nm band as due to a mainly thiolate-to-ferric character - supporting the assignment of the SOR "600-nm intermediate" as a S=5/2 ferric-hydroperoxo species. Copyright © 2016 Elsevier Inc. All rights reserved.

  11. Application of Time-Dependent Density Functional and Natural Bond Orbital Theories to the UV-vis Absorption Spectra of Some Phenolic Compounds.

    PubMed

    Marković, Svetlana; Tošović, Jelena

    2015-09-03

    The UV-vis properties of 22 natural phenolic compounds, comprising anthraquinones, neoflavonoids, and flavonoids were systematically examined. The time-dependent density functional theory (TDDFT) approach in combination with the B3LYP, B3LYP-D2, B3P86, and M06-2X functionals was used to simulate the UV-vis spectra of the investigated compounds. It was shown that all methods exhibit very good (B3LYP slightly better) performance in reproducing the examined UV-vis spectra. However, the shapes of the Kohn-Sham molecular orbitals (MOs) involved in electronic transitions were misleading in constructing the MO correlation diagrams. To provide better understanding of redistribution of electron density upon excitation, the natural bond orbital (NBO) analysis was applied. Bearing in mind the spatial and energetic separations, as well as the character of the π bonding, lone pair, and π* antibonding natural localized molecular orbitals (NLMOs), the "NLMO clusters" were constructed. NLMO cluster should be understood as a part of a molecule characterized with distinguished electron density. It was shown that all absorption bands including all electronic transitions need to be inspected to fully understand the UV-vis spectrum of a certain compound, and, thus, to learn more about its UV-vis light absorption. Our investigation showed that the TDDFT and NBO theories are complementary, as the results from the two approaches can be combined to interpret the UV-vis spectra. Agreement between the predictions of the TDDFT approach and those based on the NLMO clusters is excellent in the case of major electronic transitions and long wavelengths. It should be emphasized that the approach for investigation of UV-vis light absorption based on the NLMO clusters is applied for the first time.

  12. Influence of image charge effect on impurity-related optical absorption coefficients and refractive index changes in a spherical quantum dot

    NASA Astrophysics Data System (ADS)

    Vartanian, A. L.; Asatryan, A. L.; Vardanyan, L. A.

    2017-03-01

    We have investigated the influence of an image charge effect (ICE) on the energies of the ground and first few excited states of a hydrogen-like impurity in a spherical quantum dot (QD) in the presence of an external electric field. The oscillator strengths of transitions from the 1 s -like state to excited states of 2px and 2pz symmetries are calculated as the functions of the strengths of the confinement potential and the electric field. Also, we have studied the effect of image charges on linear and third-order nonlinear optical absorption coefficients and refractive index changes (RICs). The results show that image charges lead to the decrease of energies for all the hydrogen-like states, to the significant enhancement of the oscillator strengths of transitions between the impurity states, and to comparatively large blue shifts in linear, nonlinear, and total absorption coefficients and refractive index changes. Our results indicate that the total optical characteristics can be controlled by the strength of the confinement and the electric field.

  13. Remote Sensing of the Absorption Coefficients and Chlorophyll a Concentration in the U.S. Southern Middle Atlantic Bight from SeaWiFS and MODIS-Aqua

    NASA Technical Reports Server (NTRS)

    Pan, Xiaoju; Mannino, Antonio; Russ, Mary E.; Hooker, Stanford B.

    2008-01-01

    At present, satellite remote sensing of coastal water quality and constituent concentration is subject to large errors as compared to the capability of satellite sensors in oceanic waters. In this study, field measurements collected on a series of cruises within U.S. southern Middle Atlantic Bight (SMAB) were applied to improve retrievals of satellite ocean color products in order to examine the factors that regulate the bio-optical properties within the continental shelf waters of the SMAB. The first objective was to develop improvements in satellite retrievals of absorption coefficients of phytoplankton (a(sub ph)), colored dissolved organic matter (CDOM) (a(sub g)), non-pigmented particles (a(sub d)), and non-pigmented particles plus CDOM (a(sub dg)), and chlorophyll a concentration ([Chl_a]). Several algorithms were compared to derive constituent absorption coefficients from remote sensing reflectance (R(sub rs)) ratios. The validation match-ups showed that the mean absolute percent differences (MAPD) were typically less than 35%, although higher errors were found for a(sub d) retrievals. Seasonal and spatial variability of satellite-derived absorption coefficients and [Chl_a] was apparent and consistent with field data. CDOM is a major contributor to the bio-optical properties of the SMAB, accounting for 35-70% of total light absorption by particles plus CDOM at 443 nm, as compared to 30-45% for phytoplankton and 0-20% for non-pigmented particles. The overestimation of [Chl_a] from the operational satellite algorithms may be attributed to the strong CDOM absorption in this region. River discharge is important in controlling the bio-optical environment, but cannot explain all of the regional and seasonal variability of biogeochemical constituents in the SMAB.

  14. Electron photodetachment from gas phase peptide dianions. Relation with optical absorption properties.

    PubMed

    Joly, Laure; Antoine, Rodolphe; Broyer, Michel; Lemoine, Jérôme; Dugourd, Philippe

    2008-02-07

    Electron detachment from peptide dianions is studied as a function of the laser wavelength. The first step for the detachment is a resonant electronic excitation of the dianions. Electronic excitation spectra are reported for three peptides, including gramicidin. A comparative study of the detachment yield for 13 peptides was performed at 260 nm and at 220 nm. At 260 nm, the detachment yield is mainly driven by the sum of the absorption coefficients of the aromatic amino acids that are contained in the peptide. At 220 nm, no direct relation is observed between the electron photodetachement yields and the sum of absorption efficiencies. At this wavelength, the sequence and the structure of the peptide may have an influence on the photodetachment process.

  15. Standardized UV-vis spectra as the foundation for a threshold-based, integrated photosafety evaluation.

    PubMed

    Bauer, Daniel; Averett, Lacey A; De Smedt, Ann; Kleinman, Mark H; Muster, Wolfgang; Pettersen, Betty A; Robles, Catherine

    2014-02-01

    Phototoxicity is a relatively common phenomenon and is an adverse effect of some systemic drugs. The fundamental initial step of photochemical reactivity is absorption of a photon; however, little guidance has been provided thus far regarding how ultraviolet-visible (UV-vis) light absorption spectra may be used to inform testing strategies for investigational drugs. Here we report the results of an inter-laboratory study comparing the data from harmonized UV-vis light absorption spectra obtained in methanol with data from the in vitro 3T3 Neutral Red Uptake Phototoxicity Test. Six pharmaceutical companies submitted data according to predefined quality criteria for 76 compounds covering a wide range of chemical classes showing a diverse but "positive"-enhanced distribution of photo irritation factors (22%: PIF<2, 12%: PIF 2-5, 66%: PIF>5). For compounds being formally positive (PIF value above 5) the lowest reported molar extinction coefficient (MEC) was 1700 L mol⁻¹ cm⁻¹ in methanol. However, the majority of these formally positive compounds showed MEC values being significantly higher (up to almost 40,000 L mol⁻¹ cm⁻¹). In conclusion, an MEC value of 1000 L mol⁻¹ cm⁻¹ may represent a reasonable and pragmatic threshold warranting further experimental photosafety evaluation. Copyright © 2013 Elsevier Inc. All rights reserved.

  16. Experimental and theoretical comparison of the O K-edge nonresonant inelastic X-ray scattering and X-ray absorption spectra of NaReO4.

    PubMed

    Bradley, Joseph A; Yang, Ping; Batista, Enrique R; Boland, Kevin S; Burns, Carol J; Clark, David L; Conradson, Steven D; Kozimor, Stosh A; Martin, Richard L; Seidler, Gerald T; Scott, Brian L; Shuh, David K; Tyliszczak, Tolek; Wilkerson, Marianne P; Wolfsberg, Laura E

    2010-10-06

    Accurate X-ray absorption spectra (XAS) of first row atoms, e.g., O, are notoriously difficult to obtain due to the extreme sensitivity of the measurement to surface contamination, self-absorption, and saturation affects. Herein, we describe a comprehensive approach for determining reliable O K-edge XAS data for ReO(4)(1-) and provide methodology for obtaining trustworthy and quantitative data on nonconducting molecular systems, even in the presence of surface contamination. This involves comparing spectra measured by nonresonant inelastic X-ray scattering (NRIXS), a bulk-sensitive technique that is not prone to X-ray self-absorption and provides exact peak intensities, with XAS spectra obtained by three different detection modes, namely total electron yield (TEY), fluorescence yield (FY), and scanning transmission X-ray microscopy (STXM). For ReO(4)(1-), TEY measurements were heavily influenced by surface contamination, while the FY and STXM data agree well with the bulk NRIXS analysis. These spectra all showed two intense pre-edge features indicative of the covalent interaction between the Re 5d and O 2p orbitals. Density functional theory calculations were used to assign these two peaks as O 1s excitations to the e and t(2) molecular orbitals that result from Re 5d and O 2p covalent mixing in T(d) symmetry. Electronic structure calculations were used to determine the amount of O 2p character (%) in these molecular orbitals. Time dependent-density functional theory (TD-DFT) was also used to calculate the energies and intensities of the pre-edge transitions. Overall, under these experimental conditions, this analysis suggests that NRIXS, STXM, and FY operate cooperatively, providing a sound basis for validation of bulk-like excitation spectra and, in combination with electronic structure calculations, suggest that NaReO(4) may serve as a well-defined O K-edge energy and intensity standard for future O K-edge XAS studies.

  17. Effect of Pressure on Absorption Spectra of Lycopene in n-Hexane and CS2 Solvents

    NASA Astrophysics Data System (ADS)

    Zhang, Wei; Liu, Wei-Long; Zheng, Zhi-Ren; Huo, Ming-Ming; Li, Ai-Hua; Yang, Bin

    2010-01-01

    The absorption spectra of lycopene in n-hexane and CS2 are measured under high pressure and the results are compared with β-carotene. In the lower pressure range, the deviation from the linear dependence on the Bayliss parameter (BP) for β-carotene is more visible than that for lycopene. With the further increase of the solvent BP, the 0-0 bands of lycopene and β-carotene red shift at almost the same rate in n-hexane; however, the 0-0 band of lycopene red shifts slower than that of β-carotene in CS2. The origins of these diversities are discussed taking into account the dispersion interactions and structures of solute and solvent molecules.

  18. Water absorption lines, 931-961 nm - Selected intensities, N2-collision-broadening coefficients, self-broadening coefficients, and pressure shifts in air

    NASA Technical Reports Server (NTRS)

    Giver, L. P.; Gentry, B.; Schwemmer, G.; Wilkerson, T. D.

    1982-01-01

    Intensities were measured for 97 lines of H2O vapor between 932 and 961 nm. The lines were selected for their potential usefulness for remote laser measurements of H2O vapor in the earth's atmosphere. The spectra were obtained with several different H2O vapor abundances and N2 broadening gas pressures; the spectral resolution was 0.046/cm FWHM. Measured H2O line intensities range from 7 x 10 to the -25th to 7 x 10 to the -22nd/cm per (molecules/sq cm). H2O self-broadening coefficients were measured for 13 of these strongest lines; the mean value was 0.5/cm per atm. N2-collision-broadening coefficients were measured for 73 lines, and the average was 0.11 cm per atm HWHM. Pressure shifts in air were determined for a sample of six lines between 948 and 950 nm; these lines shift to lower frequency by an amount comparable to 0.1 of the collision-broadened widths measured in air or N2. The measured intensities of many lines of 300-000 band are much larger than expected from prior computations, in some cases by over an order of magnitude. Coriolis interactions with the stronger 201-000 band appear to be the primary cause of the enhancement of these line intensities.

  19. Mid and Near-IR Absorption Spectra of PAH Neutrals and Ions in H20 Ice to Facilitate their Astronomical Detection

    NASA Technical Reports Server (NTRS)

    Bernstein, Max P.; Sandford, Scott A.; Allamandola, Louis J.

    2004-01-01

    Polycyclic aromatic hydrocarbons (PAHs) are believed to be the most abundant and widespread class of organic compounds in the universe, having been observed in emission towards energetic regions and absorption towards colder ones.We will present IR spectra of PAHs and their cations in H20 ice measured in the laboratory in the hopes that this will facilitate the detection of these features in the interstellar medium.

  20. Analysis of Absorption Spectra of Polycyclic Aromatic Hydrocarbons in Gaseous- and Particle- Phase Emissions from Peat Fuel Combustion Under Controlled Conditions

    NASA Astrophysics Data System (ADS)

    Connolly, J. I.; Samburova, V.; Moosmüller, H.; Khlystov, A.

    2015-12-01

    Biomass and fossil fuel burning processes emit important organic pollutants called polycyclic aromatic hydrocarbons (PAHs) into the atmosphere. Smoldering combustion of peat is one of the largest contributors (up to 70%) of carbonaceous species and, therefore, it may be one of the main sources of these PAHs. PAHs can be detrimental to health, they are known to be potent mutagens and suspected carcinogens. They may also contribute to solar light absorption as the particles absorb in the blue and near ultraviolet (UV) region of the solar spectrum ("brown carbon" species). There is very little knowledge and large ambiguity regarding the contribution of PAHs to optical properties of organic carbon (OC) emitted from smoldering biomass combustion. This study focuses on quantifying and analyzing PAHs emitted from peat smoldering combustion to gain more knowledge on their optical properties. Five peat fuels collected in different regions of the world (Russia, USA) were burned under controlled conditions (e.g., relative humidity, combustion efficiency, fuel-moisture content) at the Desert Research Institute Biomass Burning facility (Reno, NV, USA). Combustion aerosols collected on TIGF filters followed by XAD resin cartridges were extracted and analyzed for gas-phase (semi-volatile) and particle-phase PAHs. Filter and XAD samples were extracted separately with dichloromethane followed by acetone using Accelerated Solvent Extractor (ACE 300, Dionex). To determine absorption properties, absorption spectra of extracts and standard PAHs were recorded between 190 and 900 nm with a UV/VIS spectrophotometer (PerkinElmer, Lambda 650). This poster will discuss the potential contribution of PAHs to brown carbon emitted from peat combustion and give a brief comparison with absorption spectra from biomass burning aerosols.

  1. Absorption and emission spectroscopic characterisation of 8-amino-riboflavin

    NASA Astrophysics Data System (ADS)

    Tyagi, A.; Zirak, P.; Penzkofer, A.; Mathes, T.; Hegemann, P.; Mack, M.; Ghisla, S.

    2009-10-01

    The flavin dye 8-amino-8-demethyl- D-riboflavin (AF) in the solvents water, DMSO, methanol, and chloroform/DMSO was studied by absorption and fluorescence spectroscopy. The first absorption band is red-shifted compared to riboflavin, and blue-shifted compared to roseoflavin (8-dimethylamino-8-demethyl-D-riboflavin). The fluorescence quantum yield of AF in the studied solvents varies between 20% and 50%. The fluorescence lifetimes were found to be in the 2-5 ns range. AF is well soluble in DMSO, weakly soluble in water and methanol, and practically insoluble in chloroform. The limited solubility causes AF aggregation, which was seen in differences between measured absorption spectra and fluorescence excitation spectra. Light scattering in the dye absorption region is discussed and approximate absorption cross-section spectra are determined from the combined measurement of transmission and fluorescence excitation spectra. The photo-stability of AF was studied by prolonged light exposure. The photo-degradation routes of AF are discussed.

  2. Statistical Study of Turbulence: Spectral Functions and Correlation Coefficients

    NASA Technical Reports Server (NTRS)

    Frenkiel, Francois N.

    1958-01-01

    In reading the publications on turbulence of different authors, one often runs the risk of confusing the various correlation coefficients and turbulence spectra. We have made a point of defining, by appropriate concepts, the differences which exist between these functions. Besides, we introduce in the symbols a few new characteristics of turbulence. In the first chapter, we study some relations between the correlation coefficients and the different turbulence spectra. Certain relations are given by means of demonstrations which could be called intuitive rather than mathematical. In this way we demonstrate that the correlation coefficients between the simultaneous turbulent velocities at two points are identical, whether studied in Lagrange's or in Euler's systems. We then consider new spectra of turbulence, obtained by study of the simultaneous velocities along a straight line of given direction. We determine some relations between these spectra and the correlation coefficients. Examining the relation between the spectrum of the turbulence measured at a fixed point and the longitudinal-correlation curve given by G. I. Taylor, we find that this equation is exact only when the coefficient is very small.

  3. The influence of coordination geometry and valency on the K-edge absorption near edge spectra of selected chromium compounds

    NASA Astrophysics Data System (ADS)

    Pantelouris, A.; Modrow, H.; Pantelouris, M.; Hormes, J.; Reinen, D.

    2004-05-01

    X-ray absorption spectra at the chromium K-edge are reported for a number of selected chromium compounds of known chemical structure. The spectra were obtained with use of synchrotron radiation available at the ELectron Stretcher Accelerator ELSA in Bonn. The compounds studied include the tetrahedrally coordinated compounds Ca 2Ge 0.8Cr 0.2O 4, Ba 2Ge 0.1Cr 0.9O 4, Sr 2CrO 4, Ca 2(PO 4) x(CrO 4) 1- xCl ( x=0.25,0.5), Ca 5(CrO 4) 3Cl, CrO 3, the octahedrally coordinated compounds Cr(II)-acetate, CrCl 3, CrF 3, Cr 2O 3, KCr(SO 4) 2 · 12H 2O, CrO 2 and cubic coordinated metallic chromium. In these compounds chromium exhibits a wide range of formal oxidation states (0 to VI). The absorption features in the near edge region are shown to be characteristic of the spatial environment of the absorbing atom. The occurrence of a single pre-edge line easily allows one to distinguish between tetrahedral and octahedral coordination geometry, whereas the energy position of the absorption edge is found to be very sensitive to the valency of the excited chromium atom. Calculations of the ionisation potential of Cr in different oxidation states using the non-relativistic Hartree-Fock method (Froese-Fischer) confirm that the ionisation limit shifts to higher energy with increasing Cr valency. More detailed information on the electronic structure of the different compounds is gained by real-space full multiple scattering calculations using the FEFF8 code.

  4. Models of filter-based particle light absorption measurements

    NASA Astrophysics Data System (ADS)

    Hamasha, Khadeejeh M.

    Light absorption by aerosol is very important in the visible, near UN, and near I.R region of the electromagnetic spectrum. Aerosol particles in the atmosphere have a great influence on the flux of solar energy, and also impact health in a negative sense when they are breathed into lungs. Aerosol absorption measurements are usually performed by filter-based methods that are derived from the change in light transmission through a filter where particles have been deposited. These methods suffer from interference between light-absorbing and light-scattering aerosol components. The Aethalometer is the most commonly used filter-based instrument for aerosol light absorption measurement. This dissertation describes new understanding of aerosol light absorption obtained by the filter method. The theory uses a multiple scattering model for the combination of filter and particle optics. The theory is evaluated using Aethalometer data from laboratory and ambient measurements in comparison with photoacoustic measurements of aerosol light absorption. Two models were developed to calculate aerosol light absorption coefficients from the Aethalometer data, and were compared to the in-situ aerosol light absorption coefficients. The first is an approximate model and the second is a "full" model. In the approximate model two extreme cases of aerosol optics were used to develop a model-based calibration scheme for the 7-wavelength Aethalometer. These cases include those of very strong scattering aerosols (Ammonium sulfate sample) and very absorbing aerosols (kerosene soot sample). The exponential behavior of light absorption in the strong multiple scattering limit is shown to be the square root of the total absorption optical depth rather than linear with optical depth as is commonly assumed with Beer's law. 2-stream radiative transfer theory was used to develop the full model to calculate the aerosol light absorption coefficients from the Aethalometer data. This comprehensive model

  5. Photoionization Modeling of Oxygen K Absorption in the Interstellar Medium: The Chandra Grating Spectra of XTE J1817-330

    NASA Technical Reports Server (NTRS)

    Gatuzz, E.; Garcia, J.; Menodza, C.; Kallman, T. R.; Witthoeft, M.; Lohfink, A.; Bautista, M. A.; Palmeri, P.; Quinet, P.

    2013-01-01

    We present detailed analyses of oxygen K absorption in the interstellar medium (ISM) using four high-resolution Chandra spectra towards the X-ray low-mass binary XTE J1817-330. The 11-25 A broadband is described with a simple absorption model that takes into account the pileup effect and results in an estimate of the hydrogen column density. The oxygen K-edge region (21-25 A) is fitted with the physical warmabs model, which is based on a photoionization model grid generated with the XSTAR code with the most up-to-date atomic database. This approach allows a benchmark of the atomic data which involves wavelength shifts of both the K lines and photoionization cross sections in order to fit the observed spectra accurately. As a result we obtain: a column density of N(sub H) = 1.38 +/- 0.01 x 10(exp 21) cm(exp -2); ionization parameter of log xi = .2.70 +/- 0.023; oxygen abundance of A(sub O) = 0.689(exp +0.015./-0.010); and ionization fractions of O I/O = 0.911, O II/O = 0.077, and O III/O = 0.012 that are in good agreement with previous studies. Since the oxygen abundance in warmabs is given relative to the solar standard of Grevesse and Sauval (1998), a rescaling with the revision by Asplund et al. (2009) yields A(sub O) = 0.952(exp +0.020/-0.013, a value close to solar that reinforces the new standard. We identify several atomic absorption lines.K-alpha , K-beta, and K-gamma in O I and O II; and K-alpha in O III, O VI, and O VII--last two probably residing in the neighborhood of the source rather than in the ISM. This is the first firm detection of oxygen K resonances with principal quantum numbers n greater than 2 associated to ISM cold absorption.

  6. Photoionization Modeling of Oxygen K Absorption in the Interstellar Medium:. [The Chandra Grating Spectra of XTE J1817-330

    NASA Technical Reports Server (NTRS)

    Gatuzz, E.; Garcia, J.; Mendoza, C.; Kallman, T. R.; Witthoeft, M.; Lohfink, A.; Bautista, M. A.; Palmeri, P.; Quinet, P.

    2013-01-01

    We present detailed analyses of oxygen K absorption in the interstellar medium (ISM) using four high-resolution Chandra spectra toward the X-ray low-mass binary XTE J1817-330. The 11-25 Angstrom broadband is described with a simple absorption model that takes into account the pile-up effect and results in an estimate of the hydrogen column density. The oxygen K-edge region (21-25 Angstroms) is fitted with the physical warmabs model, which is based on a photoionization model grid generated with the xstar code with the most up-to-date atomic database. This approach allows a benchmark of the atomic data which involves wavelength shifts of both the K lines and photoionization cross sections in order to fit the observed spectra accurately. As a result we obtain a column density of N(sub H) = 1.38 +/- 0.01 × 10(exp 21) cm(exp -2); an ionization parameter of log xi = -2.70 +/- 0.023; an oxygen abundance of A(sub O) = 0.689 (+0.015/-0.010); and ionization fractions of O(sub I)/O = 0.911, O(sub II)/O = 0.077, and O(sub III)/O = 0.012 that are in good agreement with results from previous studies. Since the oxygen abundance in warmabs is given relative to the solar standard of Grevesse & Sauval, a rescaling with the revision by Asplund et al. yields A(sub O) = 0.952(+0.020/-0.013), a value close to solar that reinforces the new standard.We identify several atomic absorption lines-K(alpha), K(beta), and K(gamma) in O(sub I) and O(sub II) and K(alpha) in O(sub III), O(sub VI), and O(sub VII)-the last two probably residing in the neighborhood of the source rather than in the ISM. This is the first firm detection of oxygen K resonances with principal quantum numbers n greater than 2 associated with ISM cold absorption.

  7. MODELING THE HARD TeV SPECTRA OF BLAZARS 1ES 0229+200 AND 3C 66A WITH AN INTERNAL ABSORPTION SCENARIO

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zacharopoulou, O.; Aharonian, F. A.; Khangulyan, D.

    2011-09-10

    We study the applicability of the idea of internal absorption of {gamma}-rays produced through synchrotron radiation of ultrarelativistic protons in highly magnetized blobs to 1ES 0229+200 and 3C 66A, the two TeV blazars which show unusually hard intrinsic {gamma}-ray spectra after being corrected for the intergalactic absorption. We show that for certain combinations of reasonable model parameters, even with quite modest energy requirements, the scenario allows a self-consistent explanation of the non-thermal emission of these objects in the keV, GeV, and TeV energy bands.

  8. Absorption coefficient and relative refractive index change for a double δ-doped GaAs MIGFET-like structure: Electric and magnetic field effects

    NASA Astrophysics Data System (ADS)

    Martínez-Orozco, J. C.; Rodríguez-Magdaleno, K. A.; Suárez-López, J. R.; Duque, C. A.; Restrepo, R. L.

    2016-04-01

    In this work we present theoretical results for the electronic structure as well as for the absorption coefficient and relative refractive index change for an asymmetric double δ-doped like confining potential in the active region of a Multiple Independent Gate Field Effect Transistor (MIGFET) system. We model the potential profile as a double δ-doped like potential profile between two Schottky (parabolic) potential barriers that are just the main characteristics of the MIGFET configuration. We investigate the effect of external electromagnetic fields in this kind of quantum structures, in particular we applied a homogeneous constant electric field in the growth direction z as well as a homogeneous constant magnetic field in the x-direction. In general we conclude that by applying electromagnetic fields we can modulate the resonant peaks of the absorption coefficient as well as their energy position. Also with such probes it is possible to control the nodes and amplitude of the relative refractive index changes related to resonant intersubband optical transitions.

  9. [Study of cholesterol concentration based on serum UV-visible absorption spectrum].

    PubMed

    Zhu, Wei-Hua; Zhao, Zhi-Min; Guo, Xin; Chen, Hui

    2009-04-01

    In the present paper, UV-visible absorption spectrum and neural network theory were used for the analysis of cholesterol concentration. Experimental investigation shows that the absorption spectrum has the following characteristics in the wave band of 350-600 nm: (1) There is a stronger absorption peak at 416 nm for the test sample with different cholesterol concentration; (2) There is a shoulder peak between 450 and 500 nm, whose central wavelength is 460 nm; (3) There is a weaker peak at 578 nm; (4) Absorption spectrums shape of different cholesterol concentration is different obviously. The absorption spectrum of serum is the synthesis result of cholesterol and other components (such as sugar), and the information is contained at each wavelength. There is no significant correlation between absorbance and cholesterol content at 416 nm, showing a random relation, so whether cholesterol content is abnormal is not determined by the absorbance peak at 416 nm. Based on the evident correlation between serum absorption spectrum and cholesterol concentration in the wave band of 455-475 nm, a neural network model was built to predict the cholesterol concentration. The correlation coefficient between predicted cholesterol content output A and objectives T reaches 0.968, which can be regarded as better prediction, and it provides a spectra test method of cholesterol concentration.

  10. Aerosol Absorption Measurements in MILAGRO.

    NASA Astrophysics Data System (ADS)

    Gaffney, J. S.; Marley, N. A.; Arnott, W. P.; Paredes-Miranda, L.; Barnard, J. C.

    2007-12-01

    to carbonyl- and nitro- functional groups on conjugated and aromatic organic structures (e.g. PAH, and terpene derived products). Using 12-hour fine (0.1-1.0 micron) aerosol samples collected in the field on quartz filters, uv/vis and infrared spectra were obtained in the laboratory using integrating spheres and diffuse reflectance spectroscopy, respectively. An inter-comparison of the "real-time" measurements made by the photo-acoustic, aethalometer and MAAP techniques have been described. In addition, the in situ aethalometer (seven-channel) results are compared with continuous integrating sphere uv-visible spectra to examine the angstrom absorption coefficient variance. These results will be briefly overviewed and the specific posters detailing these results will be highlighted highlighted. This work was performed as part of the Department of Energy's Megacity Aerosol Experiment - Mexico City under the support of the Atmospheric Science Program. "This researchwas supported by the Office of Science (BER), U. S. Department of Energy, Grant No. DE-FG02-07ER64329.

  11. The Associated Absorption Features in Quasar Spectra of the Sloan Digital Sky Survey. I. Mg II Absorption Doublets

    NASA Astrophysics Data System (ADS)

    Chen, Zhi-Fu; Huang, Wei-Rong; Pang, Ting-Ting; Huang, Hong-Yan; Pan, Da-Sheng; Yao, Min; Nong, Wei-Jing; Lu, Mei-Mei

    2018-03-01

    Using the SDSS spectra of quasars included in the DR7Q or DR12Q catalogs, we search for Mg II λλ2796, 2803 narrow absorption doublets in the spectra data around Mg II λ2798 emission lines. We obtain 17,316 Mg II doublets, within the redshift range of 0.3299 ≤ z abs ≤ 2.5663. We find that a velocity offset of υ r < 6000 km s‑1 is a safe boundary to constrain the vast majority of associated Mg II systems, although we find some doublets at υ r > 6000 km s‑1. If associated Mg II absorbers are defined by υ r < 6000 km s‑1, ∼33.3% of the absorbers are supposed to be contaminants of intervening systems. Removing the 33.3% contaminants, ∼4.5% of the quasars present at least one associated Mg II system with {W}{{r}}λ 2796≥slant 0.2 \\mathringA . The fraction of associated Mg II systems with high-velocity outflows correlates with the average luminosities of their central quasars, indicating a relationship between outflows and the quasar feedback power. The υ r distribution of the outflow Mg II absorbers is peaked at 1023 km s‑1, which is smaller than the corresponding value of the outflow C IV absorbers. The redshift number density evolution of absorbers (dn/dz) limited by υ r > ‑3000 km s‑1 differs from that of absorbers constrained by υ r > 2000 km s‑1. Absorbers limited by υ r > 2000 km s‑1 and higher values exhibit profiles similar to dn/dz. In addition, the dn/dz is smaller when absorbers are constrained with larger υ r . The distributions of equivalent widths, and the ratio of {W}rλ 2796/{W}rλ 2803, are the same for associated and intervening systems, and independent of quasar luminosity.

  12. Amplification of anharmonicities in multiphoton vibrational action spectra.

    PubMed

    Calvo, F; Parneix, P

    2012-01-16

    The influence of one or several infrared laser pulses on the stability of bare and argon-tagged sodium chloride clusters is investigated theoretically by a combination of computational methods involving explicit molecular dynamics and properly calibrated unimolecular rate theories. The fragmentation spectra obtained by varying the laser frequency in the far-IR range is compared to the linear absorption spectrum resulting from the dipole moment autocorrelation function. Under appropriate laser field parameters, the action spectra are found to resemble the absorption spectra quite accurately in terms of positions, line widths, and even relative intensities. However, the action spectra exhibit residual and systematic redshifts of a few percent, which are partly due to the finite spectral bandwidth but are amplified by the progressive heating by the laser. A quantitative analysis suggests that these anharmonicity effects should generally arise upon multiple photon absorption. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Determination of the Mass Absorption Coefficient in Two-Layer Ti/V and V/Ti Thin Film Systems by the X-Ray Fluorescence Method

    NASA Astrophysics Data System (ADS)

    Mashin, N. I.; Chernyaeva, E. A.; Tumanova, A. N.; Gafarova, L. M.

    2016-03-01

    A new XRF procedure for the determination of the mass absorption coefficient in thin film Ti/V and V/Ti two-layer systems has been proposed. The procedure uses easy-to-make thin-film layers of sputtered titanium and vanadium on a polymer film substrate. Correction coefficients have been calculated that take into account attenuation of primary radiation of the X-ray tube, as well as attenuation of the spectral line of the bottom layer element in the top layer.

  14. A new hybrid double divisor ratio spectra method for the analysis of ternary mixtures

    NASA Astrophysics Data System (ADS)

    Youssef, Rasha M.; Maher, Hadir M.

    2008-10-01

    A new spectrophotometric method was developed for the simultaneous determination of ternary mixtures, without prior separation steps. This method is based on convolution of the double divisor ratio spectra, obtained by dividing the absorption spectrum of the ternary mixture by a standard spectrum of two of the three compounds in the mixture, using combined trigonometric Fourier functions. The magnitude of the Fourier function coefficients, at either maximum or minimum points, is related to the concentration of each drug in the mixture. The mathematical explanation of the procedure is illustrated. The method was applied for the assay of a model mixture consisting of isoniazid (ISN), rifampicin (RIF) and pyrazinamide (PYZ) in synthetic mixtures, commercial tablets and human urine samples. The developed method was compared with the double divisor ratio spectra derivative method (DDRD) and derivative ratio spectra-zero-crossing method (DRSZ). Linearity, validation, accuracy, precision, limits of detection, limits of quantitation, and other aspects of analytical validation are included in the text.

  15. On the nature of absorption features toward nearby stars

    NASA Astrophysics Data System (ADS)

    Kohl, S.; Czesla, S.; Schmitt, J. H. M. M.

    2016-06-01

    Context. Diffuse interstellar absorption bands (DIBs) of largely unknown chemical origin are regularly observed primarily in distant early-type stars. More recently, detections in nearby late-type stars have also been claimed. These stars' spectra are dominated by stellar absorption lines. Specifically, strong interstellar atomic and DIB absorption has been reported in τ Boo. Aims: We test these claims by studying the strength of interstellar absorption in high-resolution TIGRE spectra of the nearby stars τ Boo, HD 33608, and α CrB. Methods: We focus our analysis on a strong DIB located at 5780.61 Å and on the absorption of interstellar Na. First, we carry out a differential analysis by comparing the spectra of the highly similar F-stars, τ Boo and HD 33608, whose light, however, samples different lines of sight. To obtain absolute values for the DIB absorption, we compare the observed spectra of τ Boo, HD 33608, and α CrB to PHOENIX models and carry out basic spectral modeling based on Voigt line profiles. Results: The intercomparison between τ Boo and HD 33608 reveals that the difference in the line depth is 6.85 ± 1.48 mÅ at the DIB location which is, however, unlikely to be caused by DIB absorption. The comparison between PHOENIX models and observed spectra yields an upper limit of 34.0 ± 0.3 mÅ for any additional interstellar absorption in τ Boo; similar results are obtained for HD 33608 and α CrB. For all objects we derive unrealistically large values for the radial velocity of any presumed interstellar clouds. In τ Boo we find Na D absorption with an equivalent width of 0.65 ± 0.07 mÅ and 2.3 ± 0.1 mÅ in the D2 and D1 lines. For the other Na, absorption of the same magnitude could only be detected in the D2 line. Our comparisons between model and data show that the interstellar absorption toward τ Boo is not abnormally high. Conclusions: We find no significant DIB absorption in any of our target stars. Any differences between modeled and

  16. Numerical method based on transfer function for eliminating water vapor noise from terahertz spectra.

    PubMed

    Huang, Y; Sun, P; Zhang, Z; Jin, C

    2017-07-10

    Water vapor noise in the air affects the accuracy of optical parameters extracted from terahertz (THz) time-domain spectroscopy. In this paper, a numerical method was proposed to eliminate water vapor noise from the THz spectra. According to the Van Vleck-Weisskopf function and the linear absorption spectrum of water molecules in the HITRAN database, we simulated the water vapor absorption spectrum and real refractive index spectrum with a particular line width. The continuum effect of water vapor molecules was also considered. Theoretical transfer function of a different humidity was constructed through the theoretical calculation of the water vapor absorption coefficient and the real refractive index. The THz signal of the Lacidipine sample containing water vapor background noise in the continuous frequency domain of 0.5-1.8 THz was denoised by use of the method. The results show that the optical parameters extracted from the denoised signal are closer to the optical parameters in the dry nitrogen environment.

  17. Finite temperature effects on the X-ray absorption spectra of energy related materials

    NASA Astrophysics Data System (ADS)

    Pascal, Tod; Prendergast, David

    2014-03-01

    We elucidate the role of room-temperature-induced instantaneous structural distortions in the Li K-edge X-ray absorption spectra (XAS) of crystalline LiF, Li2SO4, Li2O, Li3N and Li2CO3 using high resolution X-ray Raman spectroscopy (XRS) measurements and first-principles density functional theory calculations within the eXcited electron and Core Hole (XCH) approach. Based on thermodynamic sampling via ab-initio molecular dynamics (MD) simulations, we find calculated XAS in much better agreement with experiment than those computed using the rigid crystal structure alone. We show that local instantaneous distortion of the atomic lattice perturbs the symmetry of the Li 1 s core-excited-state electronic structure, broadening spectral line-shapes and, in some cases, producing additional spectral features. This work was conducted within the Batteries for Advanced Transportation Technologies (BATT) Program, supported by the U.S. Department of Energy Vehicle Technologies Program under Contract No. DE-AC02-05CH11231.

  18. Two-photon absorption spectra of luminescent conducting polymers measured over wide spectral range

    NASA Astrophysics Data System (ADS)

    Meyer, Ron K.; Liess, Martin; Benner, Robert E.; Gellermann, Werner; Vardeny, Z. Valy; Ozaki, Masanori; Yoshino, Katsumi; Ding, Yi W.; Barton, Thomas J.

    1997-12-01

    We report the two-photon absorption (TPA) spectra of poly(2,5-dibutoxy-p-phenylene acetylene) (PPA-DBO), poly(2,5-dioctyloxy-p-phenylene vinylene) (PPV-DOO), and poly(3-hexylthiophene) in the spectral range extending from 576 nm to 846 nm. Using the Z-scan technique on the polymers in solution, we measured a strong two-photon allowed transition in all three materials which we attribute to the mAg essential state. In the case of PPA-DBO and PPV-DOO, TPA peaks were coincident with dispersion in the nonlinear refractive indices as detected by reduced aperture Z scan. In all three polymers this peak occurs at approximately 1.3 the bandgap energy. The excitonic nature of the excited electronic states in PPA-DBO is indicated by the lack of a TPA band at or near the 1Bu exciton position. Saturation was observed in the nonlinear index of refraction near spectral peaks, as well as an apparent reverse Kramers- Kronig effect.

  19. [Estimation of DOC concentrations using CDOM absorption coefficients: a case study in Taihu Lake].

    PubMed

    Jiang, Guang-Jia; Ma, Rong-Hua; Duan, Hong-Tao

    2012-07-01

    Dissolved organic carbon (DOC) is the largest organic carbon stock in water ecosystems, which plays an important role in the carbon cycle in water. Chromophoric dissolved organic matter (CDOM), an important water color variation, is the colored fraction of DOC and its absorption controls the instruction of light under water. The available linkage between DOC concentration and CDOM absorptions enables the determination of DOC accumulations using remote sensing reflectance or radiance in lake waters. The present study explored the multi-liner relationship between CDOM absorptions [a(g) (250) and a(g) (365)] and DOC concentrations in Taihu Lake, based on the available data in 4 cruises (201005, 201101, 201103, 201105) (totally 183 sampling sites). Meanwhile, the results were validated with the data of the experiment carried out from August 29 to September 2, 2011 in Taihu Lake (n = 27). Furthermore, a universal pattern of modeling from remote sensing was built for lake waters. The results demonstrated that this method provided more satisfying estimation of DOC concentrations in Taihu Lake. Except the data obtained in January 2011, the fitted results of which were not conductive to the winter dataset (201101) in Taihu Lake, due to the diverse sources and sinks of DOC and CDOM, the multi-liner relationship was robust for the data collected in the other three cruises (R2 = 0.64, RMSE = 14.31%, n = 164), which was validated using the 201108 sampling dataset (R2 = 0.67, RMSE = 10.58%, n = 27). In addition, the form of the statistic model is universal, to some extent, for other water areas, however, there is difference in the modeling coefficients. Further research should be focused on the parameterization using local data from different lakes, which provides effective methodology for the estimation of DOC concentrations in lakes and other water regions.

  20. Comparison of three chemometrics methods for near-infrared spectra of glucose in the whole blood

    NASA Astrophysics Data System (ADS)

    Zhang, Hongyan; Ding, Dong; Li, Xin; Chen, Yu; Tang, Yuguo

    2005-01-01

    Principal Component Regression (PCR), Partial Least Square (PLS) and Artificial Neural Networks (ANN) methods are used in the analysis for the near infrared (NIR) spectra of glucose in the whole blood. The calibration model is built up in the spectrum band where there are the glucose has much more spectral absorption than the water, fat, and protein with these methods and the correlation coefficients of the model are showed in this paper. Comparing these results, a suitable method to analyze the glucose NIR spectrum in the whole blood is found.

  1. First light with Trident: multi-platform synthetic quasar spectra

    NASA Astrophysics Data System (ADS)

    Silvia, Devin W.; Hummels, Cameron B.; Smith, Britton

    2017-01-01

    Observational efforts to better understand the nature of the intergalactic and circumgalactic media have relied heavily on the information encoded in the absorption line systems of quasar spectra. Numerical simulations of large-scale structure and galaxy evolution are well-suited to explore the properties of those same media owing to the relative ease with which one can access physical quantities from complex, three-dimensional data. However, a difficulty arises when one tries to make direct “apple-to-apples” comparisons between observed spectra and simulated data. In an effort to provide a common language capable of linking theory and observation, we announce the release of Trident. Trident is a publicly available software tool that enables the creation of realistic synthetic absorption spectra from virtually all widely-used hydrodynamics simulation codes. Through user-controlled levels of spectral realism, direct comparisons between simulated and observed data become not only possible, but greatly simplified. We present the methods for extracting artificial quasar sightlines and generating spectra as well as early-stage applications of those spectra to intergalactic and circumgalactic absorption line studies.

  2. Investigation of absorption spectra of Gafchromic EBT2 film's components and their impact on UVR dosimetry

    NASA Astrophysics Data System (ADS)

    Aydarous, Abdulkadir

    2016-05-01

    The absorption spectra of the EBT2 film's components were investigated in conjunction with its use for UVA dosimetry. The polyester (topside) and adhesive layers of the EBT2 film have been gently removed. Gafchromic™ EBT2 films with and without the protected layers (polyester and adhesive) were exposed to UVR of 365 nm for different durations. Thereafter, the UV-visible spectra were measured using a UV-visible spectrophotometer (Model Spectro Dual Split Beam, UVS-2700). Films were digitized using a Nikon CanoScan 9000F Mark II flatbed scanner. The dosimetric characteristics including film's uniformity, reproducibility and post-irradiation development were investigated. The color development of EBT2 and new modified EBT2 (EBT2-M) films irradiated with UVA was relatively stable (less than 1%) immediately after exposure. Based on this study, the sensitivity of EBT2 to UVR with wavelength between ~350 nm and ~390 nm can significantly be enhanced if the adhesive layer (~25 μm) is removed. The polyester layer plays almost no part on absorbing UVR with wavelength between ~320 nm and ~390 nm. Furthermore, various sensitivities for the EBT2-M film has been established depending on the wavelength of analysis.

  3. Electronic absorption and MCD spectra of M sub 2 (TMB) sub 4 sup 2+ , M = Rh and Ir. A valence-bond description of the upper electronic excited states

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Smith, D.C.; Miskowski, V.M.; Gray, H.B.

    1990-05-09

    Electronic absorption and magnetic circular dichroism (MCD) spectra of Rh{sub 2}(TMB){sub 4}{sup 2+} and Ir{sub 2}(TMB){sub 4}{sup 2+} are reported along with polarized single-crystal absorption spectra of (Ir{sub 2}(TMB){sub 4})(B(C{sub 6}H{sub 5}){sub 4}){sub 2} {times} CH{sub 3}C{sub 6}H{sub 5} (TMB = 2,5-diisocyano-2,5-dimethylhexane). Interpretation of the spectra is based on a valence-bond model that accommodates highly perturbed dimer transitions as well as monomer-like dimer excitations. In this model, half of the dimer electronic excited states possess ionic character; these states involve metal-to-metal charge transfer (MMCT). The most prominent of the weak features ({approximately} 430 nm) is assigned to the transition tomore » {sup 1}A{sub 1g} (a single-center d{sub z{sup 2}} {yields} p{sub z} excitation). High-energy features ({lambda} < 300 nm) in the spectra of Rh{sub 2}(TMB){sub 4}{sup 2+} and Ir{sub 2}(TMB){sub 4}{sup 2+} are assigned to MMCT arising from d{sub xzyz} {yields} p{sub z} excitations.« less

  4. Temperature dependence of Fe/++/ crystal field spectra - Implications to mineralogical mapping of planetary surfaces

    NASA Technical Reports Server (NTRS)

    Sung, C.-M.; Singer, R. B.; Parkin, K. M.; Burns, R. G.; Osborne, M.

    1977-01-01

    Results are reported of Fe(++) crystal field spectral measurements for olivines and pyroxenes up to 400 C. The results are correlated with crystal structure data at elevated temperatures, and the validity of remote-sensed identifications of minerals on hot surfaces of the moon and Mercury is assessed. Two techniques were used to obtain spectra of minerals at elevated temperatures using a spectrophotometer. One employed a diamond cell assembly or a specially designed sample holder to measure polarized absorption spectra of heated single crystals. For the other technique, a sample holder was designed to attach to a diffuse reflectance accessory to produce reflectance spectra of heated powdered samples. Polarized absorption spectra of forsterite at 20-400 C are shown in a graph. Other graphs show the temperature dependence of Fe(++) crystal field bands in olivines, the diffuse reflectance spectra of olivine at 40-400 C, the polarization absorption spectra of orthopyroxene at 30-400 C, the diffuse reflectance spectra of pigeonite at 40-400 C, and unpolarized absorption spectra of lunar pyroxene from Apollo 15 rock 15058.

  5. The influence of surface modification on sound absorption coefficient of albizzia wood absorber

    NASA Astrophysics Data System (ADS)

    Diharjo, Kuncoro; Prabowo, Anditya E.; Jamasri, Suharty, Neng Sri

    2017-01-01

    The purpose of this research is to investigate the influence of surface modification to sound absorption on absorber based albizia wood and kenaf fiber. The absorber was produced using the albizia wood as main materials, and the kenaf fiber was used as acoustic fill. The albizia wood used for producing the absorber was cut in the transverse direction so that its surface had good porosity. The size of specimens had 100 mm in diameter and 40 mm in thickness. The configuration of resonator cavities was 30 mm in diameter and 20 mm in depth, and each resonator was completed with a neck hole of the resonator. The types of surface modification were the addition of screen printing ink, fabric (with and without neck hole), and vinyl-wallpaper (with and without neck hole). According to ISO 10534-2, the absorber specimens were tested using two microphones impedance tube with random noise source to get the curve of noise absorption coefficient (NAC) for each specimen. The result shows that both unmodified absorber and absorber modified with screen printing ink have the similar characteristic of NAC and they are feasible to be used as an absorber in conversation rooms. The addition of fabric and vinyl-wallpaper as cover on the absorber surface give the positive effect of the air gap, and it increases the NAC in low frequency (100-400 Hz). However, the covers decrease the NAC in high frequency (400-1,400 Hz). The holes on the fabric and wallpaper covers give the improvement of NAC.

  6. Absorption spectra of localized surface plasmon resonance observed in an inline/picoliter spectrometer cell fabricated by a near ultraviolet femtosecond laser

    NASA Astrophysics Data System (ADS)

    Shiraishi, Masahiko; Nishiyama, Michiko; Watanabe, Kazuhiro; Kubodera, Shoichi

    2018-03-01

    Absorption spectra based on localized surface plasmon resonance (LSPR) were obtained with an inline/picoliter spectrometer cell. The spectrometer cell was fabricated into an optical glass fiber by focusing a near UV (NUV) femtosecond laser pulses at a wavelength of 400 nm with an energy of 30 μJ. The laser beam was focused from two directions opposite to each other to fabricate a through-hole spectrometer cell. A diameter of the cell was approximately 3 μm, and the length was approximately 62.5 μm, which was nearly equal to the core diameter of the optical fiber. Liquid solution of gold nanoparticles (GNPs) with a diameter of 5-10 nm was injected into the spectrometer cell with its volume of 0.4 pL. The absorption peak centered at 518 nm was observed. An increase of absorption associated with the increase of the number of nanoparticles was in agreement with the numerical calculation based on the Lambert-Beer law.

  7. Infrared Spectra and Optical Constants of Elusive Amorphous Methane

    NASA Technical Reports Server (NTRS)

    Gerakines, Perry A.; Hudson, Reggie L.

    2015-01-01

    New and accurate laboratory results are reported for amorphous methane (CH4) ice near 10 K for the study of the interstellar medium (ISM) and the outer Solar System. Near- and mid-infrared (IR) data, including spectra, band strengths, absorption coefficients, and optical constants, are presented for the first time for this seldom-studied amorphous solid. The apparent IR band strength near 1300 cm(exp -1) (7.69 micrometer) for amorphous CH4 is found to be about 33% higher than the value long used by IR astronomers to convert spectral observations of interstellar CH4 into CH4 abundances. Although CH4 is most likely to be found in an amorphous phase in the ISM, a comparison of results from various laboratory groups shows that the earlier CH4 band strength at 1300 cm(exp -1) (7.69 micrometer) was derived from IR spectra of ices that were either partially or entirely crystalline CH4 Applications of the new amorphous-CH4 results are discussed, and all optical constants are made available in electronic form.

  8. Pressure shift coefficient measurements in an RF discharge for Ar 4s[3/2]2—5p[3/2]3 transition with the help of diodelaser absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Chernyshov, A. K.; Mikheyev, P. A.; Lunev, N. N.; Azyazov, V. N.

    2018-04-01

    Optically pumped all-rare-gas laser (OPRGL) with unique properties were recently proposed with a possibility to obtain the laser power on the order of hundreds of Watts from a cubic centimeter. To provide high laser efficiency, the pumping radiation has to match the absorption spectrum of the rare gas metastables. To meet this condition a reliable diagnostics of the key parameters of the active medium is required and knowledge of the broadening and shift coefficients for corresponding transitions of rare gases is necessary. In this paper, the diode-laser absorption spectroscopy was employed to determine the pressure shift coefficient for 811.5 nm Ar line. The value of obtained coefficient in pure argon reduced to 300 K is -(2.1 ± 0.1) × 10-10 s-1cm3. In the course of the study the pressure broadening coefficient was also evaluated and found to be (2.4 ± 0.5) × 10-10 s-1cm3.

  9. Absorption spectra and nonlinear transmission (at λ = 2940 nm) of a diffusion-doped Fe{sup 2+}:ZnSe single crystal

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bufetova, G A; Gulyamova, E S; Il'ichev, N N

    2015-06-30

    Transmission spectra of a ZnSe sample diffusion-doped with Fe{sup 2+} ions have been measured in the wavelength range 500 – 7000 nm. A broad absorption band in the range 500 – 1500 nm has been observed in both doped and undoped regions of the sample. This band is possibly due to deviations from stoichiometry in the course of diffusion doping. The transmission of the Fe{sup 2+}:ZnSe sample at a wavelength of 2940 nm has been measured at various dopant concentrations and high peak pulse intensities (up to 8 MW cm{sup -2}). The samples have been shown to be incompletely bleached:more » during a laser pulse, the transmission first increases, reaches a maximum, and then falls off. Our results suggest that the incomplete bleaching cannot be accounted for by excited-state absorption. The incomplete bleaching (as well as the transmission maximum) is due to the heating of the sample, which leads to a reduction in upper level lifetime and, accordingly, to an increase in absorption saturation intensity. (nonlinear optical phenomena)« less

  10. Review of the absorption spectra of solid O2 and N2 as they relate to contamination of a cooled infrared telescope

    NASA Technical Reports Server (NTRS)

    Smith, S. M.

    1977-01-01

    During contamination studies for the liquid helium cooled shuttle infrared telescope facility, a literature search was conducted to determine the absorption spectra of the solid state of homonuclear molecules of O2 and N2, and ascertain what laboratory measurements of the solid have been made in the infrared. With the inclusion of one unpublished spectrum, the absorption spectrum of the solid oxygen molecule has been thoroughly studied from visible to millimeter wavelengths. Only two lines appear in the solid that do not also appear in the gas or liquid. A similar result is implied for the solid nitrogen molecule because it also is homonuclear. The observed infrared absorption lines result from lattice modes of the alpha phase of the solid, and disappear at the warmer temperatures of the beta, gamma, and liquid phases. They are not observed from polycrystalline forms of O2, while strong scattering is. Scattering, rather than absorption, is considered to be the principal natural contamination problem for cooled infrared telescopes in low earth orbit.

  11. Donor impurity-related linear and nonlinear intraband optical absorption coefficients in quantum ring: effects of applied electric field and hydrostatic pressure

    PubMed Central

    2012-01-01

    The linear and nonlinear intraband optical absorption coefficients in GaAs three-dimensional single quantum rings are investigated. Taking into account the combined effects of hydrostatic pressure and electric field, applied along the growth direction of the heterostructure, the energies of the ground and first excited states of a donor impurity have been found using the effective mass approximation and a variational method. The energies of these states are examined as functions of the dimensions of the structure, electric field, and hydrostatic pressure. We have also investigated the dependencies of the linear, nonlinear, and total optical absorption coefficients as a function of incident photon energy for several configurations of the system. It is found that the variation of distinct sizes of the structure leads to either a redshift and/or a blueshift of the resonant peaks of the intraband optical spectrum. In addition, we have found that the application of an electric field leads to a redshift, whereas the influence of hydrostatic pressure leads to a blueshift (in the case of on-ring-center donor impurity position) of the resonant peaks of the intraband optical spectrum. PMID:23021497

  12. Determination of true optical absorption and scattering coefficient of wooden cell wall substance by time-of-flight near infrared spectroscopy.

    PubMed

    Kitamura, Ryunosuke; Inagaki, Tetsuya; Tsuchikawa, Satoru

    2016-02-22

    The true absorption coefficient (μa) and reduced scattering coefficient (μ´s) of the cell wall substance in Douglas fir were determined using time-of-flight near infrared spectroscopy. Samples were saturated with hexane, toluene or quinolone to minimize the multiple reflections of light on the boundary between pore-cell wall substance in wood. μ´s exhibited its minimum value when the wood was saturated with toluene because the refractive index of toluene is close to that of the wood cell wall substance. The optical parameters of the wood cell wall substance calculated were μa = 0.030 mm(-1) and μ´s= 18.4 mm(-1). Monte Carlo simulations using these values were in good agreement with the measured time-resolved transmittance profiles.

  13. Experimental and theoretical investigations on the EPR parameters and molecular orbital bonding coefficients of VO2+ ions in BTTB glasses

    NASA Astrophysics Data System (ADS)

    Srinivas, B.; Hameed, Abdul; Vijaya Kumar, R.; Narasimha Chary, M.; Shareefuddin, Md.

    2018-06-01

    The effect of the spin probe VO2+ in 15BaO-15TeO2-10TiO2-(60-x) B2O3-xV2O5 (x = 0.2, 0.4, 0.6, 0.8 mol %) glasses has been studied by employing Electron Paramagnetic Resonance (EPR) and optical absorption spectroscopic techniques. The observed EPR spectra of VO2+ ions were attributed on the basis of well-known spin-Hamiltonian of C4V symmetry. The simulated EPR spectra for VO2+ ions in the present glass system were drawn using Easy spin software. Both the experimental and simulated spectra were found to be in good agreement with each other. The optical absorption spectra exhibited three d-d transition bands due to crystal and tetragonal fields of VO2+ ions. These bands were assigned to 2B2g→ 2Eg, 2B2g→ 2B1g and 2B2g→ 2A1g transitions. The crystal field parameters Dq, Ds and Dt values are calculated. From the EPR and optical data, the molecular bonding coefficients were evaluated. Employing the higher order perturbation formulae of the g factors for 3d1 ion under tetragonally compressed octahedral fields, theoretical studies were carried out. The spin-Hamiltonian parameters ? and ? obtained from both the experimental and theoretical methods were in good agreement with each other.

  14. Method and apparatus for aerosol particle absorption spectroscopy

    DOEpatents

    Campillo, Anthony J.; Lin, Horn-Bond

    1983-11-15

    A method and apparatus for determining the absorption spectra, and other properties, of aerosol particles. A heating beam source provides a beam of electromagnetic energy which is scanned through the region of the spectrum which is of interest. Particles exposed to the heating beam which have absorption bands within the band width of the heating beam absorb energy from the beam. The particles are also illuminated by light of a wave length such that the light is scattered by the particles. The absorption spectra of the particles can thus be determined from an analysis of the scattered light since the absorption of energy by the particles will affect the way the light is scattered. Preferably the heating beam is modulated to simplify the analysis of the scattered light. In one embodiment the heating beam is intensity modulated so that the scattered light will also be intensity modulated when the particles absorb energy. In another embodiment the heating beam passes through an interferometer and the scattered light reflects the Fourier Transform of the absorption spectra.

  15. Self-Broadening and Self-Shift Coefficients in the Fundamental Band of 12C 16O

    NASA Technical Reports Server (NTRS)

    Devi, Malathy V.; Benner, D. Chris; Smith, Mary Ann H.; Rinsland, Curtis P.

    1998-01-01

    High quality and precise measurements of self-broadened and self-shift coefficients in the fundamental band of C-12O-16 were made using spectra recorded at room temperature with the high-resolution (0.0027 cm(exp -1)) McMath-Pierce Fourier transform spectrometer located at the National Solar Observatory on Kitt Peak, Arizona. The spectral region under investigation (2008-2247 cm(exp -1)) contains the P(31) to R(31) transitions. The data were obtained using a high-purity natural isotopic sample ofcarbon monoxide and two absorption cells with pathlengths of 4.08 and 9.98 cm, respectively. Various pressures of CO were used, ranging between 0.25 and 201.2 Torr. The results were obtained by analyzing five spectra simultaneously, using a multispectrum nonlinear least-squares fitting technique. The self-broadened coefficients ranged from 0.0426(2) cm(exp -1) atm(exp -1) at 296 K to 0.0924(2) cm(exp -1) atm(exp -1) at 296 K, while the pressure-induced shift coefficients varied between -0.0042(3) cm(exp -1) atm(exp -1) at 296 K and +0.0005(l) cm(exp -1) atm(exp -1) at 296 K. The value in parentheses is the estimated uncertainty in units of the last digit. The self-broadened coefficients of lines with same values of m in the P and R branches agree close to within experimental uncertainties while the self-shift coefficients showed considerable variation within and between the two branches. The mean value of the ratios of P branch to R branch self-broadened coefficients was found to be 1.01 with a standard deviation of + or - 0.01. Comparisons of the results with other published data were made.

  16. Dynamical effects in x-ray absorption spectra of graphene and monolayered h -BN on Ni(111)

    NASA Astrophysics Data System (ADS)

    Rusz, J.; Preobrajenski, A. B.; Ng, May Ling; Vinogradov, N. A.; Mårtensson, N.; Wessely, O.; Sanyal, B.; Eriksson, O.

    2010-02-01

    We present first-principles calculations of x-ray absorption spectra of graphene and hexagonal BN monolayer on the Ni(111) substrate. Including dynamical core-hole screening effects according to the theory of Mahan-Nozières-de Dominics (MND) results in an overall good agreement with previously published experimental data and our new observations. This approach provides a unified first-principles description of the electronic structure and core excitations in the sp2 -bonded materials on metal surfaces and a better insight into the dynamics of screening effects. We demonstrate in particular that the observed spectral features of graphene and hexagonal BN can be well reproduced with the MND theory, and that they are determined by a delicate balance between initial and final-state effects.

  17. Time-dependent oral absorption models

    NASA Technical Reports Server (NTRS)

    Higaki, K.; Yamashita, S.; Amidon, G. L.

    2001-01-01

    The plasma concentration-time profiles following oral administration of drugs are often irregular and cannot be interpreted easily with conventional models based on first- or zero-order absorption kinetics and lag time. Six new models were developed using a time-dependent absorption rate coefficient, ka(t), wherein the time dependency was varied to account for the dynamic processes such as changes in fluid absorption or secretion, in absorption surface area, and in motility with time, in the gastrointestinal tract. In the present study, the plasma concentration profiles of propranolol obtained in human subjects following oral dosing were analyzed using the newly derived models based on mass balance and compared with the conventional models. Nonlinear regression analysis indicated that the conventional compartment model including lag time (CLAG model) could not predict the rapid initial increase in plasma concentration after dosing and the predicted Cmax values were much lower than that observed. On the other hand, all models with the time-dependent absorption rate coefficient, ka(t), were superior to the CLAG model in predicting plasma concentration profiles. Based on Akaike's Information Criterion (AIC), the fluid absorption model without lag time (FA model) exhibited the best overall fit to the data. The two-phase model including lag time, TPLAG model was also found to be a good model judging from the values of sum of squares. This model also described the irregular profiles of plasma concentration with time and frequently predicted Cmax values satisfactorily. A comparison of the absorption rate profiles also suggested that the TPLAG model is better at prediction of irregular absorption kinetics than the FA model. In conclusion, the incorporation of a time-dependent absorption rate coefficient ka(t) allows the prediction of nonlinear absorption characteristics in a more reliable manner.

  18. Vibronic spectra of Cu(2+) in ZnTe

    NASA Technical Reports Server (NTRS)

    Volz, M. P.; Su, C.-H.; Lehoczky, S. L.; Szofran, F. R.

    1992-01-01

    Infrared-absorption spectra of substitutional Cu(2+) ions in ZnTe have been measured at 4.6 K. Several distinct absorption peaks are observed between 800 and 2000/cm. Absorption peaks at 1002 and 1069/cm are identified as zero-phonon lines arising from 2T2-2E transitions. Between 1069 and 2000/cm, several sets of sharp absorption lines are seen to recur regularly at an interval of 210/cm, corresponding to the LO phonon energy. Within each set distinct vibronic sidebands that cannot be identified with critical-point energies of TA, LA, TO or LO phonon modes are observed. A dynamic Jahn-Teller effect, involving coupling between a single-phonon mode and the electronic states of the 2E level, is proposed to account for the observed spectra.

  19. Absorption and Attenuation Coefficients Using the WET Labs ac-s in the Mid-Atlantic Bight: Field Measurements and Data Analysis

    NASA Technical Reports Server (NTRS)

    Ohi, Nobuaki; Makinen, Carla P.; Mitchell, Richard; Moisan, Tiffany A.

    2008-01-01

    Ocean color algorithms are based on the parameterization of apparent optical properties as a function of inherent optical properties. WET Labs underwater absorption and attenuation meters (ac-9 and ac-s) measure both the spectral beam attenuation [c (lambda)] and absorption coefficient [a (lambda)]. The ac-s reports in a continuous range of 390-750 nm with a band pass of 4 nm, totaling approximately 83 distinct wavelengths, while the ac-9 reports at 9 wavelengths. We performed the ac-s field measurements at nine stations in the Mid-Atlantic Bight from water calibrations to data analysis. Onboard the ship, the ac-s was calibrated daily using Milli Q-water. Corrections for the in situ temperature and salinity effects on optical properties of water were applied. Corrections for incomplete recovery of the scattered light in the ac-s absorption tube were performed. The fine scale of spectral and vertical distributions of c (lambda) and a (lambda) were described from the ac-s. The significant relationships between a (674) and that of spectrophotometric analysis and chlorophyll a concentration of discrete water samples were observed.

  20. Theoretical simulation of solar spectra in the middle ultraviolet and visible for atmospheric trace constituent measurements

    NASA Technical Reports Server (NTRS)

    Goldman, A.

    1978-01-01

    Two balloon flights reaching float altitudes of approximately 30 and 40 km respectively, were used to obtain scans of the ultraviolet and visible solar spectra. Both flights covered the UV (2800-3500A) at approximately 0.3A resolution and the visible at approximately 0.6A. Numerous scans were obtained during ascent and from float for both flights. All spectral scans obtained at float, from high sun to low sun, were calibrated in wavelength by using several standard solar spectra for line position references. Comparisons of low sun scans and high sun scans show significant atmospheric continuum extinction and have the potential of being used to identify atmospheric lines superimposed on the attenuated solar spectrum. The resolution was mathematically degraded to approximately 5A to better see the broad band atmospheric extinction. This low resolution is also appropriate for the available low resolution absorption coefficients of NO2 and O3, allowing the identification of NO2 and O3 features on the sunset spectra.

  1. Ultrafast X-Ray Absorption Spectroscopy of Isochorically Heated Warm Dense Matter

    NASA Astrophysics Data System (ADS)

    Engelhorn, Kyle Craig

    This dissertation will present a series of new tools, together with new techniques, focused on the understanding of warm and dense matter. We report on the development of a high time resolution and high detection efficiency x-ray camera. The camera is integrated with a short pulse laser and an x-ray beamline at the Advanced Light Source synchrotron. This provides an instrument for single shot, broadband x-ray absorption spectroscopy of warm and dense matter with 2 picosecond time resolution. Warm and dense matter is created by isochorically heating samples of known density with an ultrafast optical laser pulse, and X-ray absorption spectroscopy probes the unoccupied electronic density of states before the onset of hydrodynamic expansion and electron-ion equilibrium is reached. Measured spectra from a variety of materials are compared with first principle molecular dynamics and density functional theory calculations. In heated silicon dioxide spectra, two novel pre-edge features are observed, a peak below the band gap and absorption within the band gap, while a reduction was observed in the features above the edge. From consideration of the calculated spectra, the peak below the gap is attributed to valence electrons that have been promoted to the conduction band, the absorption within the gap is attributed to broken Si-O bonds, and the reduction above the edge is attributed to an elevated ionic temperature. In heated copper spectra, a time-dependent shift and broadening of the absorption edge are observed, consistent with and elevated electron temperature. The temporal evolution of the electronic temperature is accurately determined by fitting the measured spectra with calculated spectra. The electron-ion equilibration is studied with a two-temperature model. In heated nickel spectra, a shift of the absorption edge is observed. This shift is found to be inconsistent with calculated spectra and independent of incident laser fluence. A shift of the chemical potential

  2. Prediction of Iron K-Edge Absorption Spectra Using Time-Dependent Density Functional Theory

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    George, S.DeBeer; Petrenko, T.; Neese, F.

    2009-05-14

    Iron K-edge X-ray absorption pre-edge features have been calculated using a time-dependent density functional approach. The influence of functional, solvation, and relativistic effects on the calculated energies and intensities has been examined by correlation of the calculated parameters to experimental data on a series of 10 iron model complexes, which span a range of high-spin and low-spin ferrous and ferric complexes in O{sub h} to T{sub d} geometries. Both quadrupole and dipole contributions to the spectra have been calculated. We find that good agreement between theory and experiment is obtained by using the BP86 functional with the CP(PPP) basis setmore » on the Fe and TZVP one of the remaining atoms. Inclusion of solvation yields a small improvement in the calculated energies. However, the inclusion of scalar relativistic effects did not yield any improved correlation with experiment. The use of these methods to uniquely assign individual spectral transitions and to examine experimental contributions to backbonding is discussed.« less

  3. Luminescence and Absorption Spectra of C sub 60 Films

    DTIC Science & Technology

    1991-02-01

    J. McKeirnan, J.L Zink, R. Stanley Williams, W.M. Tong, D.A.A. Ohlberg and R.L. Whetten Submitted t DTIC Physical Review Letters ELECT E SFEB 2? 7,19...range at 20K. A 1400 cm"& progression in the a soccerball inflation mode is observed. The low-temperature absorption spectrum exhibits similar fine...ag soccerball inflation mode is observed. The low temperature absorption spectrum exhibits similar fine structure. The characterization of vibronic

  4. Signatures in vibrational and UV-visible absorption spectra for identifying cyclic hydrocarbons by graphene fragments.

    PubMed

    Meng, Yan; Wu, Qi; Chen, Lei; Wangmo, Sonam; Gao, Yang; Wang, Zhigang; Zhang, Rui-Qin; Ding, Dajun; Niehaus, Thomas A; Frauenheim, Thomas

    2013-12-21

    To promote possible applications of graphene in molecular identification based on stacking effects, in particular in recognizing aromatic amino acids and even sequencing nucleobases in life sciences, we comprehensively study the interaction between graphene segments and different cyclic organic hydrocarbons including benzene (C6H6), cyclohexane (C6H12), benzyne (C6H4), cyclohexene (C6H10), 1,3-cyclohexadiene (C6H8(1)) and 1,4-cyclohexadiene (C6H8(2)), using the density-functional tight-binding (DFTB) method. Interestingly, we find obviously different characteristics in Raman vibrational and ultraviolet visible absorption spectra of the small molecules adsorbed on the graphene sheet. Specifically, we find that both spectra involve clearly different characteristic peaks, belonging to the different small molecules upon adsorption, with the ones of ionized molecules being more substantial. Further analysis shows that the adsorptions are almost all due to the presence of dispersion energy in neutral cases and involve charge transfer from the graphene to the small molecules. In contrast, the main binding force in the ionic adsorption systems is the electronic interaction. The results present clear signatures that can be used to recognize different kinds of aromatic hydrocarbon rings on graphene sheets. We expect that our findings will be helpful for designing molecular recognition devices using graphene.

  5. On the nitrogen-induced far-infrared absorption spectra

    NASA Technical Reports Server (NTRS)

    Dore, P.; Filabozzi, A.

    1987-01-01

    The rototranslational absorption spectrum of gaseous N2 is analyzed, considering quadrupolar and hexadecapolar induction mechanisms. The available experimental data are accounted for by using a line-shape analysis in which empirical profiles describe the single-line translational profiles. Thus, a simple procedure is derived that allows the prediction of the N2 spectrum at any temperature. On the basis of the results obtained for the pure gas, a procedure to compute the far-infrared spectrum of the N2-Ar gaseous mixture is also proposed. The good agreement between computed and experimental N2-Ar data indicates that it is possible to predict the far-infrared absorption induced by N2 on the isotropic polarizability of any interacting partner.

  6. A study on the magnetic susceptibilities and optical absorption spectra on single crystals of Gd(III) pyrogermanate

    NASA Astrophysics Data System (ADS)

    Kundu, T.; Ghosh, D.; Wanklyn, B. M.

    1990-04-01

    The paper reports for the first time the experimental results of the measurements of magnetic susceptibilities ( K⊥ and K|) and their anisotropy (Δ K) between 300 and 21.8 K and the optical absorption spectra (UV region) at 12.5 K on single crystals of gadolinium pyrogermanate (GdPG). The anisotropy, which is only 211×10 -6 emu/mol at room temperature and increases by two orders of magnitude at 21 K, is predominantly a crystal field (CF) effect on the 8S {7}/{2} ground term, through higher order perturbations. Interpretation of the observed magnetic data was carried out by considering a conventional spin Hamiltonian ( Hs) to derive expressions for K⊥ and K| in terms of four effective crystal field parameters (ECFP). The value s of ECFP were varied to obtain a very close fitting between the theoretical and experimental values of K⊥, K|, δ K and K¯ The splitting of the 8S {7}/{2} term corresponding to these values of ECFP was found to be large, which suggests a strong CF effect in GdPG, as also observed in other RPG crystal studied earlier. The thermal characteristics of the magnetic anisotropy below 30 K deviate by about 5% which could not be explained by CF effects alone. A series expansion method was adopted to analyse the results of K⊥ and K| below 30 K, however the corresponding coefficient B2α and B3α were observed t o be unusually high indicating the presence of CF effect even in this temperature region. The Schottky specific heat, Csch, between 300 and 21 K for GdPG has been calculated and this shows a maximum at Tmax=17 K.

  7. Structure and spectra of H/sub 2/O in hydrated. beta. -alumina

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bates, J.B.; Dudney, N.J.; Brown, G.M.

    1982-11-15

    The structure and spectra of hydrated Li and Na ..beta..-alumina were investigated using neutron diffraction, infrared absorption, and Raman scattering. The dimensions of the hexagonal unit cell of a hydrated Li ..beta..-alumina crystal containing 1.55 H/sub 2/O molecules per unit cell are a = 5.591 A and c = 22.715 A. The oxygen atoms of the water molecules are located in the conduction plane between the mO, and the aBR sites; the protons, located above the below the plane, form bent hydrogen bonds with the O(4) oxygen ions. The HOH bond angle of water in Li ..beta..-alumina is 114/sup 0/more » and the Vertical BarO--HVertical Bar bond distance is 0.992 A. Based on polarized infrared spectra, H/sub 2/O adopts a similar structure and orientation in Na ..beta..-alumina. Spectra of absorbed H/sub 2/O, D/sub 2/O, and HDO species show that water molecules dissociate in Li ..beta..-alumina to form OH/sup -/ and H(H/sub 2/O)/sup +//sub n/ species. No evidence was found for the dissociation of water in Na ..beta..-alumina. The absorption coefficients determined for OH/sup -/ and H/sub 2/O in Li ..beta..-alumina include local field corrections. A large local field anisotropy at the protons of H/sub 2/O is responsible for the large ratio of the intensities of ..nu../sub 3/ and ..nu../sub 1/ observed for water in Li and Na ..beta..-alumina.« less

  8. Ultraviolet and infrared absorption spectra of Cr2O3 doped-sodium metaphosphate, lead metaphosphate and zinc metaphosphate glasses and effects of gamma irradiation: a comparative study.

    PubMed

    Marzouk, M A; ElBatal, F H; Abdelghany, A M

    2013-10-01

    The effects of gamma irradiation on spectral properties of Cr2O3-doped phosphate glasses of three varieties, namely sodium metaphosphate, lead metaphosphate and zinc metaphosphate have been investigated. Optical spectra of the undoped samples reveal strong UV absorption bands which are attributed to the presence of trace iron impurities in both the sodium and zinc phosphate glasses while the lead phosphate glass exhibits broad UV near visible bands due to combined absorption of both trace iron impurities and divalent lead ions. The effect of chromium oxide content has been investigated. The three different Cr2O3-doped phosphate glasses reveal spectral visible bands varying in their position and intensity and splitting due to the different field strengths of the Na(+), Pb(2+), Zn(2+) cations, together with the way they are housed in the network and their effects on the polarisability of neighboring oxygens ligands. The effects of gamma irradiation on the optical spectral properties of the various glasses have been compared. The different effects for lead and zinc phosphate are related to the ability of Pb(2+), and Zn(2+) to form additional structural units causing stability of the network towards gamma irradiation. Also, the introduction of the transition metal chromium ions reveals some shielding behavior towards irradiation. Infrared absorption spectra of the three different base phosphate glasses show characteristic vibrations due to various phosphate groups depending on the type of glass and Cr2O3 is observed to slightly affect the IR spectra. Gamma irradiation causes minor variations in some of the intensities of the IR spectra but the main characteristic bands due to phosphate groups remain in their number and position. Copyright © 2013 Elsevier B.V. All rights reserved.

  9. Absorption coefficients and frequency shifts measurement in the spectral range of 1071.88-1084.62 cm-1 vs. pressure for chlorodifluoromethane (CHClF2) using tunable CW CO2 laser

    NASA Astrophysics Data System (ADS)

    Al-Hawat, Sharif

    2013-02-01

    Infrared (IR) absorption in the spectral range of (1071.88-1084.62 cm-1) vs. pressure in chlorodifluoromethane (CFC-22, F-22, and CHClF2) was studied using a tunable continuous wave (CW) CO2 laser radiation on 9R branch lines with a maximum output power of about 2.12 W, provided with an absorber cell located outside the laser cavity. The absorption coefficients were determined vs. the gas pressure between 0.2 mbar and 170 mbar at lines from 9R branch for CFC-22. The frequency shifts of the absorption lines of CFC-22 in relative to the central frequencies of laser lines were calculated vs. the pressure on the basis of these absorption coefficients. The chosen lines were selected according to IR spectrum of the studied gas given by HITRAN cross section database. So the absorption was achieved for CFC-22 at the spectral lines of 9R branch situated from 9R (10) to 9R (30) emitted by a tunable CW CO2 laser. The absorption cross sections of CFC-22 determined in this work were compared with the relevant data given by HITRAN cross section database and a reasonable agreement was observed.

  10. Pseudopotential calculations and photothermal lensing measurements of two-photon absorption in solids

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    White, W.T. III

    1985-11-04

    We have studied two-photon absorption in solids theoretically and experimentally. We have shown that it is possible to use accurate band structure techniques to compute two-photon absorption spectra within 15% of measured values in a wide band-gap material, ZnS. The empirical pseudopotential technique that we used is significantly more accurate than previous models of two-photon absorption in zinc blende materials, including present tunneling theories (which are essentially parabolic-band results in disguise) and the nonparabolic-band formalism of Pidgeon et al. and Weiler. The agreement between our predictions and previous measurements allowed us to use ZnS as a reference material in ordermore » to validate a technique for measuring two-photon absorption that was previously untried in solids, pulsed dual-beam thermal lensing. With the validated technique, we examined nonlinear absorption in one other crystal (rutile) and in several glasses, including silicates, borosilicates, and one phosphate glass. Initially, we believed that the absorption edges of all the materials were comparable; however, subsequent evidence suggested that the effective band-gap energies of the glasses were above the energy of two photons in our measurement. Therefore, we attribute the nonlinear absorption that we observed in glasses to impurities or defects. The measured nonlinear absorption coefficients were of the order of a few cm/TW in the glasses and of the order of 10 cm/GW in the crystals, four orders of magnitude higher than in glasses. 292 refs.« less

  11. Computational study of the absorption spectrum of defected ZnS nanoparticles

    NASA Astrophysics Data System (ADS)

    Michos, F. I.; Sigalas, M. M.

    2018-04-01

    Energy levels and absorption spectra of defected ZnS nanoparticles (NPs) were calculated with Density Functional Theory (DFT) and Time Dependent DFT. Several types of defects were examined such as vacancies and substitutions. NPs with S vacancies were found to have their absorption spectra moved to lower energies well inside the visible spectrum with significantly high oscillator strength. Also, NPs with substitution of S atoms with Cl, Br, or I showed significant absorption. In general, this type of defect moves the absorption spectra in lower energies, thus bringing the absorption edge into the visible spectrum, while the unperturbed NPs have absorption edges in the UV region. In addition, ZnS NPs are made from more abundant and less toxic elements than the more commonly used CdSe NPs. For that reason, they may find significant applications in solar cells and other photonic applications, as well as in biosensing applications as biomarkers.

  12. Differential-optoacoustic absorption detector

    NASA Technical Reports Server (NTRS)

    Shumate, M. S.

    1977-01-01

    Two-cell spectrophone detects trace amounts of atmospheric pollutants by measuring absorption coefficients of gases with various laser sources. Device measures pressure difference between two tapered cells with differential manometer. Background signal is reduced by balanced window heating and balanced carrier gas absorption in two cells.

  13. Phononic glass: a robust acoustic-absorption material.

    PubMed

    Jiang, Heng; Wang, Yuren

    2012-08-01

    In order to achieve strong wide band acoustic absorption under high hydrostatic pressure, an interpenetrating network structure is introduced into the locally resonant phononic crystal to fabricate a type of phononic composite material called "phononic glass." Underwater acoustic absorption coefficient measurements show that the material owns high underwater sound absorption coefficients over 0.9 in 12-30 kHz. Moreover, the quasi-static compressive behavior shows that the phononic glass has a compressive strength over 5 MPa which is crucial for underwater applications.

  14. Experimental Determination of the Molar Absorption Coefficient of n-Hexane Adsorbed on High-Silica Zeolites.

    PubMed

    Gatti, Giorgio; Olivas Olivera, Diana F; Sacchetto, Vittoria; Cossi, Maurizio; Braschi, Ilaria; Marchese, Leonardo; Bisio, Chiara

    2017-09-06

    Determination of the molar absorption coefficients of the CH 3 bending mode at ν˜ =1380 cm -1 (ϵ 1380 ) of n-hexane adsorbed from the gas phase on two different dealuminated zeolites is derived by a combination of IR spectroscopy and microgravimetric analysis. High-silica zeolite Y (HSZ-Y) and zeolite ZSM-5 (with SiO 2 /Al 2 O 3 ratios of 200 and 280, respectively) with different textural and surface features are selected to evaluate the effect of the pore structure and architecture on the value of ϵ 1380 of the adsorbed n-hexane. Experimental data indicate that the molecule experiences a different adsorption environment inside zeolites; thus resulting in a significant change of the dipole moment and very different ϵ 1380 values: (0.278±0.018) cm μmol -1 for HSZ-Y and (0.491±0.032) cm μmol -1 for ZSM-5. Experimental data are also supported by computational modeling, which confirms the effect of different matrices on the IR absorption intensity. This study reveals that the use of probe molecules for quantitative measurements of surface sites has to be judiciously adopted, especially if adsorption occurs in the restricted spaces of microporous materials. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Particle-in-a-box model of exciton absorption and electroabsorption in conjugated polymers

    NASA Astrophysics Data System (ADS)

    Pedersen, Thomas G.

    2000-12-01

    The recently proposed particle-in-a-box model of one-dimensional excitons in conjugated polymers is applied in calculations of optical absorption and electroabsorption spectra. It is demonstrated that for polymers of long conjugation length a superposition of single exciton resonances produces a line shape characterized by a square-root singularity in agreement with experimental spectra near the absorption edge. The effects of finite conjugation length on both absorption and electroabsorption spectra are analyzed.

  16. Absolute Two-Photon Absorption Coefficients in UltraViolet Window Materials

    DTIC Science & Technology

    1977-12-01

    fvtt* tld » II ntctHB,-y md Idtnlll’ by block number; The absolute two-photon absorption coefficiehts of u. v. transmitting materials have been...measured using well-calibrated single picosecond pulses, at the third and fourth harmonic of a mode locked Nd:YAG laser systems. Twc photon...30, 1977. Work in the area of laser induced breakdown and multiphoton absorption in ultraviolet and infrared laser window materials was carried

  17. Protocol to determine accurate absorption coefficients for iron containing transferrins

    PubMed Central

    James, Nicholas G.; Mason, Anne B.

    2008-01-01

    An accurate protein concentration is an essential component of most biochemical experiments. The simplest method to determine a protein concentration is by measuring the A280, using an absorption coefficient (ε), and applying the Beer-Lambert law. For some metalloproteins (including all transferrin family members) difficulties arise because metal binding contributes to the A280 in a non-linear manner. The Edelhoch method is based on the assumption that the ε of a denatured protein in 6 M guanidine-HCl can be calculated from the number of the tryptophan, tyrosine, and cystine residues. We extend this method to derive ε values for both apo- and iron-bound transferrins. The absorbance of an identical amount of iron containing protein is measured in: 1) 6 M guanidine-HCl (denatured, no iron); 2) pH 7.4 buffer (non-denatured with iron); and 3) pH 5.6 (or lower) buffer with a chelator (non-denatured without iron). Since the iron free apo-protein has an identical A280 under non-denaturing conditions, the difference between the reading at pH 7.4 and the lower pH directly reports the contribution of the iron. The method is fast and consumes ~1 mg of sample. The ability to determine accurate ε values for transferrin mutants that bind iron with a wide range of affinities has proven very useful; furthermore a similar approach could easily be followed to determine ε values for other metalloproteins in which metal binding contributes to the A280. PMID:18471984

  18. Structure and electronic absorption spectra of nematogenic alkoxycinnamic acids - a comparative study based on semiempirical and DFT methods.

    PubMed

    Praveen, Pogula Lakshmi; Ojha, Durga Prasad

    2012-04-01

    Structure of nematogenic p-n-Alkoxy cinnamic acids (nOCAC) with various alkyl chain carbon atoms (n = 2, 4, 6, 8) has been optimized using density functional B3LYP with 6-31+G (d) basis set using crystallographic geometry as input. Using the optimized geometry, electronic structure of the molecules has been evaluated using the semiempirical methods and DFT calculations. Molecular charge distribution and phase stability of these systems have been analyzed based on Mulliken and Löwdin population analysis. The electronic absorption spectra of nOCAC molecules have been simulated by employing DFT method, semiempirical CNDO/S and INDO/S parameterizations. Two types of calculations have been performed for model systems containing single and double molecules of nOCAC. UV-Visible spectra have been calculated for all single molecules. The UV stability of the molecules has been discussed in light of the electronic transition oscillator strength (f). The dimer complexes of higher homologues (n = 6, 8) have also been reported to enable the comparison between single and double molecules.

  19. Effects of soot absorption coefficient-Planck function correlation on radiative heat transfer in oxygen-enriched propane turbulent diffusion flame

    NASA Astrophysics Data System (ADS)

    Consalvi, J. L.; Nmira, F.

    2016-03-01

    The main objective of this article is to quantify the influence of the soot absorption coefficient-Planck function correlation on radiative loss and flame structure in an oxygen-enhanced propane turbulent diffusion flame. Calculations were run with and without accounting for this correlation by using a standard k-ε model and the steady laminar flamelet model (SLF) coupled to a joint Probability Density Function (PDF) of mixture fraction, enthalpy defect, scalar dissipation rate, and soot quantities. The PDF transport equation is solved by using a Stochastic Eulerian Field (SEF) method. The modeling of soot production is carried out by using a flamelet-based semi-empirical acetylene/benzene soot model. Radiative heat transfer is modeled by using a wide band correlated-k model and turbulent radiation interactions (TRI) are accounted for by using the Optically-Thin Fluctuation Approximation (OTFA). Predicted soot volume fraction, radiant wall heat flux distribution and radiant fraction are in good agreement with the available experimental data. Model results show that soot absorption coefficient and Planck function are negatively correlated in the region of intense soot emission. Neglecting this correlation is found to increase significantly the radiative loss leading to a substantial impact on flame structure in terms of mean and rms values of temperature. In addition mean and rms values of soot volume fraction are found to be less sensitive to the correlation than temperature since soot formation occurs mainly in a region where its influence is low.

  20. Multispectrum analysis of air-broadened spectra in the ν3 Q branch of 12CH4

    NASA Astrophysics Data System (ADS)

    Devi, V. Malathy; Benner, D. Chris; Gamache, Robert R.; Tran, H.; Smith, Mary Ann H.; Sams, Robert L.

    2018-02-01

    We report experimental measurements of spectral line shape parameters (air-broadened width, shift, and line mixing coefficients) for several transitions in the ν3 Q branch of methane in the 3000-3023 cm-1 region. 13 high-resolution, room temperature laboratory spectra of pure methane and air-broadened methane recorded with two different Fourier transform spectrometers are fitted. 12 of these spectra were acquired at 0.01 cm-1 resolution with the McMath-Pierce FTS at the National Solar Observatory on Kitt Peak, and one higher-resolution (∼0.0011 cm-1) low pressure methane spectrum was obtained with the Bruker IFS-120HR FTS at the Pacific Northwest National Laboratory, in Richland, Washington. All the spectra were obtained using high purity natural samples of CH4 and lean mixtures of the same natural CH4 in dry air. For the 12 spectra recorded at Kitt Peak, three different absorption cells (L = 5, 25 and 150 cm) were used while the methane spectrum at PNNL was obtained using a 19.95 cm long absorption cell. For the analysis, an interactive multispectrum nonlinear least squares fitting software was employed where all the 13 spectra were fitted simultaneously. An accurate and self-consistent set of line parameters were determined by constraining a few of those for severely blended transitions. Line mixing was measured for 14 transition pairs for the CH4-air collision system. A constant speed dependence parameter, consistent with measured speed dependence values obtained in other methane bands, was applied to all the transitions included in the fitted region. The present measurements are compared to values reported in the literature.

  1. Molecular dynamics simulation and TDDFT study of the structures and UV-vis absorption spectra of MCT-β-CD and its inclusion complexes.

    PubMed

    Lu, Huijuan; Wang, Yujiao; Xie, Xiaomei; Chen, Feifei; Li, Wei

    2015-01-01

    In this research, the inclusion ratios and inclusion constants of MCT-β-CD/PERM and MCT-β-CD/CYPERM inclusion complexes were measured by UV-vis and fluorescence spectroscopy. The inclusion ratios are both 1:1, and the inclusion constants are 60 and 342.5 for MCT-β-CD/PERM and MCT-β-CD/CYPERM, respectively. The stabilities of inclusion complexes were investigated by MD simulation. MD shows that VDW energy plays a vital role in the stability of inclusion complex, and the destruction of inclusion complex is due to the increasing temperature. The UV-vis absorption spectra of MCT-β-CD and its inclusion complexes were studied by time-dependent density functional theory (TDDFT) method employing BLYP-D3, B3LYP-D3 and M06-2X-D3 functionals. BLYP-D3 well reproduces the UV-vis absorption spectrum and reveals that the absorption bands of MCT-β-CD mainly arise from n→π(∗) and n→σ(∗) transition, and those of inclusion complexes mainly arise from intramolecular charge transfer (ICT). ICT results in the shift of main absorption bands of MCT-β-CD. Copyright © 2015 Elsevier B.V. All rights reserved.

  2. Importance of the green color, absorption gradient, and spectral absorption of chloroplasts for the radiative energy balance of leaves.

    PubMed

    Kume, Atsushi

    2017-05-01

    Terrestrial green plants absorb photosynthetically active radiation (PAR; 400-700 nm) but do not absorb photons evenly across the PAR waveband. The spectral absorbance of photosystems and chloroplasts is lowest for green light, which occurs within the highest irradiance waveband of direct solar radiation. We demonstrate a close relationship between this phenomenon and the safe and efficient utilization of direct solar radiation in simple biophysiological models. The effects of spectral absorptance on the photon and irradiance absorption processes are evaluated using the spectra of direct and diffuse solar radiation. The radiation absorption of a leaf arises as a consequence of the absorption of chloroplasts. The photon absorption of chloroplasts is strongly dependent on the distribution of pigment concentrations and their absorbance spectra. While chloroplast movements in response to light are important mechanisms controlling PAR absorption, they are not effective for green light because chloroplasts have the lowest spectral absorptance in the waveband. With the development of palisade tissue, the incident photons per total palisade cell surface area and the absorbed photons per chloroplast decrease. The spectral absorbance of carotenoids is effective in eliminating shortwave PAR (<520 nm), which contains much of the surplus energy that is not used for photosynthesis and is dissipated as heat. The PAR absorptance of a whole leaf shows no substantial difference based on the spectra of direct or diffuse solar radiation. However, most of the near infrared radiation is unabsorbed and heat stress is greatly reduced. The incident solar radiation is too strong to be utilized for photosynthesis under the current CO 2 concentration in the terrestrial environment. Therefore, the photon absorption of a whole leaf is efficiently regulated by photosynthetic pigments with low spectral absorptance in the highest irradiance waveband and through a combination of pigment density

  3. Accounting for nanometer-thick adventitious carbon contamination in X-ray absorption spectra of carbon-based materials.

    PubMed

    Mangolini, Filippo; McClimon, J Brandon; Rose, Franck; Carpick, Robert W

    2014-12-16

    Near-edge X-ray absorption fine structure (NEXAFS) spectroscopy is a powerful technique for characterizing the composition and bonding state of nanoscale materials and the top few nanometers of bulk and thin film specimens. When coupled with imaging methods like photoemission electron microscopy, it enables chemical imaging of materials with nanometer-scale lateral spatial resolution. However, analysis of NEXAFS spectra is often performed under the assumption of structural and compositional homogeneity within the nanometer-scale depth probed by this technique. This assumption can introduce large errors when analyzing the vast majority of solid surfaces due to the presence of complex surface and near-surface structures such as oxides and contamination layers. An analytical methodology is presented for removing the contribution of these nanoscale overlayers from NEXAFS spectra of two-layered systems to provide a corrected photoabsorption spectrum of the substrate. This method relies on the subtraction of the NEXAFS spectrum of the overlayer adsorbed on a reference surface from the spectrum of the two-layer system under investigation, where the thickness of the overlayer is independently determined by X-ray photoelectron spectroscopy (XPS). This approach is applied to NEXAFS data acquired for one of the most challenging cases: air-exposed hard carbon-based materials with adventitious carbon contamination from ambient exposure. The contribution of the adventitious carbon was removed from the as-acquired spectra of ultrananocrystalline diamond (UNCD) and hydrogenated amorphous carbon (a-C:H) to determine the intrinsic photoabsorption NEXAFS spectra of these materials. The method alters the calculated fraction of sp(2)-hybridized carbon from 5 to 20% and reveals that the adventitious contamination can be described as a layer containing carbon and oxygen ([O]/[C] = 0.11 ± 0.02) with a thickness of 0.6 ± 0.2 nm and a fraction of sp(2)-bonded carbon of 0.19 ± 0.03. This

  4. Calculation of the visible-UV absorption spectra of hydrogen sulfide, bisulfide, polysulfides, and As and Sb sulfides, in aqueous solution

    PubMed Central

    Tossell, JA

    2003-01-01

    Recently we showed that visible-UV spectra in aqueous solution can be accurately calculated for arsenic (III) bisulfides, such as As(SH)3, As(SH)2S- and their oligomers. The calculated lowest energy transitions for these species were diagnostic of their protonation and oligomerization state. We here extend these studies to As and Sb oxidation state III and v sulfides and to polysulfides Sn2-, n = 2–6, the bisulfide anion, SH-, hydrogen sulfide, H2S and the sulfanes, SnH2, n = 2–5. Many of these calculations are more difficult than those performed for the As(iii) bisulfides, since the As and Sb(v) species are more acidic and therefore exist as highly charged anions in neutral and basic solutions. In general, small and/or highly charged anions are more difficult to describe computationally than larger, monovalent anions or neutral molecules. We have used both Hartree-Fock based (CI Singles and Time-Dependent HF) and density functional based (TD B3LYP) techniques for the calculations of absorption energy and intensity and have used both explicit water molecules and a polarizable continuum to describe the effects of hydration. We correctly reproduce the general trends observed experimentally, with absorption energies increasing from polysulfides to As, Sb sulfides to SH- to H2S. As and Sb(v) species, both monomers and dimers, also absorb at characteristically higher energies than do the analogous As and Sb(III)species. There is also a small reduction in absorption energy from monomeric to dimeric species, for both As and Sb III and v. The polysufides, on the other hand, show no simple systematic changes in UV spectra with chain length, n, or with protonation state. Our results indicate that for the As and Sb sulfides, the oxidation state, degree of protonation and degree of oligomerization can all be determined from the visible-UV absorption spectrum. We have also calculated the aqueous phase energetics for the reaction of S8 with SH- to produce the polysulfides

  5. Franck-Condon Simulations including Anharmonicity of the Ã(1)A''-X̃(1)A' Absorption and Single Vibronic Level Emission Spectra of HSiCl and DSiCl.

    PubMed

    Mok, Daniel W K; Lee, Edmond P F; Chau, Foo-Tim; Dyke, John M

    2009-03-10

    RCCSD(T) and/or CASSCF/MRCI calculations have been carried out on the X̃(1)A' and Ã(1)A'' states of HSiCl employing basis sets of up to the aug-cc-pV5Z quality. Contributions from core correlation and extrapolation to the complete basis set limit were included in determining the computed equilibrium geometrical parameters and relative electronic energy of these two states of HSiCl. Franck-Condon factors which include allowance for anharmonicity and Duschinsky rotation between these two states of HSiCl and DSiCl were calculated employing RCCSD(T) and CASSCF/MRCI potential energy functions, and were used to simulate the Ã(1)A'' ← X̃(1)A' absorption and Ã(1)A'' → X̃(1)A' single vibronic level (SVL) emission spectra of HSiCl and DSiCl. Simulated absorption and experimental LIF spectra, and simulated and observed Ã(1)A''(0,0,0) → X̃(1)A' SVL emission spectra, of HSiCl and DSiCl are in very good agreement. However, agreement between simulated and observed Ã(1)A''(0,1,0) → X̃(1)A' and Ã(1)A''(0,2,1) → X̃(1)A' SVL emission spectra of DSiCl is not as good. Preliminary calculations on low-lying excited states of HSiCl suggest that vibronic interaction between low-lying vibrational levels of the Ã(1)A'' state and highly excited vibrational levels of the ã(3)A'' is possible. Such vibronic interaction may change the character of the low-lying vibrational levels of the Ã(1)A'' state, which would lead to perturbation in the SVL emission spectra from these vibrational levels.

  6. Molecular hydrogen absorption systems in Sloan Digital Sky Survey

    NASA Astrophysics Data System (ADS)

    Balashev, S. A.; Klimenko, V. V.; Ivanchik, A. V.; Varshalovich, D. A.; Petitjean, P.; Noterdaeme, P.

    2014-05-01

    We present a systematic search for molecular hydrogen absorption systems at high redshift in quasar spectra from the Sloan Digital Sky Survey (SDSS)-II Data Release 7 and SDSS-III Data Release 9. We have selected candidates using a modified profile fitting technique taking into account that the Lyα forest can effectively mimic H2 absorption systems at the resolution of SDSS data. To estimate the confidence level of the detections, we use two methods: a Monte Carlo sampling and an analysis of control samples. The analysis of control samples allows us to define regions of the spectral quality parameter space where H2 absorption systems can be confidently identified. We find that H2 absorption systems with column densities log NH2 > 19 can be detected in only less than 3 per cent of SDSS quasar spectra. We estimate the upper limit on the detection rate of saturated H2 absorption systems (NH2 > 19) in damped Lyα (DLA) systems to be about 7 per cent. We provide a sample of 23 confident H2 absorption system candidates that would be interesting to follow up with high-resolution spectrographs. There is a 1σ r - i colour excess and non-significant AV extinction excess in quasar spectra with an H2 candidate compared to standard DLA-bearing quasar spectra. The equivalent widths of C II, Si II and Al III (but not Fe II) absorptions associated with H2 candidate DLAs are larger compared to standard DLAs. This is probably related to a larger spread in velocity of the absorption lines in the H2-bearing sample.

  7. Molecular and electronic structure, magnetotropicity and absorption spectra of benzene-trinuclear copper(I) and silver(I) trihalide columnar binary stacks.

    PubMed

    Tsipis, A C; Stalikas, A V

    2012-02-20

    The molecular and electronic structures, stabilities, bonding features, magnetotropicity and absorption spectra of benzene-trinuclear Cu(I) and Ag(I) trihalide columnar binary stacks with the general formula [c-M(3)(μ(2)-X)(3)](n)(C(6)H(6))(m) (M = Cu, Ag; X = halide; n, m ≤ 2) have been investigated by means of electronic structure calculation methods. The interaction of c-M(3)(μ(2)-X)(3) clusters with one and two benzene molecules yields 1:1 and 1:2 binary stacks, while benzene sandwiched 2:1 stacks are formed upon interaction of two c-M(3)(μ(2)-X)(3) clusters with one benzene molecule. In all binary stacks the plane of the alternating c-M(3)(μ(2)-X)(3) and benzene components adopts an almost parallel orientation. The separation distance between the centroids of the benzene and the proximal c-M(3)(μ(2)-X)(3) metallic cluster found in the range 2.97-3.33 Å at the B97D/Def2-TZVP level is indicative of a π···π stacking interaction mode, for the centroid separation distance is very close to the sum of the van der Waals radii of Cu···C (3.10 Å) and Ag···C (3.44 Å). Energy decomposition analysis (EDA) at the SSB-D/TZP level revealed that the dominant term in the c-M(3)(μ(2)-X)(3)···C(6)H(6) interaction arises from dispersion and electrostatic forces while the covalent interactions are predicted to be negligible. On the other hand, charge decomposition analysis (CDA) illustrated very small charge transfer from C(6)H(6) toward the c-M(3)(μ(2)-X)(3) clusters, thus reflecting weak π-base/π-acid interactions which are further corroborated by the respective electrostatic potentials and the fact that the total dipole moment vector points to the center of the metallic ring of the c-M(3)(μ(2)-X)(3) cluster. The absorption spectra of all aromatic columnar binary stacks simulated by means of TD-DFT calculations showed strong absorptions in the UV region. The main features of the simulated absorption spectra are thoroughly analyzed, and assignments of

  8. On the nature of solvatochromic effect: The riboflavin absorption spectrum as a case study

    NASA Astrophysics Data System (ADS)

    Daidone, Isabella; Amadei, Andrea; Aschi, Massimiliano; Zanetti-Polzi, Laura

    2018-03-01

    We present here the calculation of the absorption spectrum of riboflavin in acetonitrile and dimethyl sulfoxide using a hybrid quantum/classical approach, namely the perturbed matrix method, based on quantum mechanical calculations and molecular dynamics simulations. The calculated spectra are compared to the absorption spectrum of riboflavin previously calculated in water and to the experimental spectra obtained in all three solvents. The experimentally observed variations in the absorption spectra upon change of the solvent environment are well reproduced by the calculated spectra. In addition, the nature of the excited states of riboflavin interacting with different solvents is investigated, showing that environment effects determine a recombination of the gas-phase electronic states and that such a recombination is strongly affected by the polarity of the solvent inducing significant changes in the absorption spectra.

  9. Molar absorptivities of 2,4-D, cymoxanil, fenpropidin, isoproturon and pyrimethanil in aqueous solution in the near-UV.

    PubMed

    Feigenbrugel, Valérie; Le Calvé, Stéphane; Mirabel, Philippe

    2006-01-01

    The absorption spectra of five pesticides, namely 2,4-dichloro-phenoxy acetic acid (2,4-D), cymoxanil, fenpropidin, isoproturon and pyrimethanil, have been measured in aqueous solution using a set-up consisting of two parallel absorption cells coupled to a CCD detector. The absolute values of their molar absorptivity coefficients epsilon were determined in the wavelength-range 240-344 nm with a deuterium-lamp at room temperature (298+/-2 K). Using the Beer-Lambert law, values of epsilon were also determined at 253.7 nm with a Hg-Lamp: epsilon = 145+/-14 for 2,4-D, epsilon = 7940+/-920 for cymoxanil, epsilon = 196+/-14 for fenpropidin, epsilon = 7330+/-880 for isoproturon, epsilon = 13200+/-1400 for pyrimethanil (in units of M(-1) cm(-1)). The quoted errors correspond to 2 sigma obtained from the least square fit analysis and the estimated systematic error of 5% due to the uncertainties in aqueous concentrations. For all the studied compounds, the absorbances measured were lower than 2.3 and did not exhibit any deviation from the Beer-Lambert's law. Our experimental data are discussed and compared to UV spectra of similar molecules when such data were available in the literature. Based on their UV spectra and the calculated fractions of these pesticides in the aqueous phase, their direct photolysis under sunlight environment could occur, except may be for fenpropidin, either in water surfaces or in aqueous droplets contained in the atmospheric clouds.

  10. Molar absorptivities of 2,4-D, cymoxanil, fenpropidin, isoproturon and pyrimethanil in aqueous solution in the near-UV

    NASA Astrophysics Data System (ADS)

    Feigenbrugel, Valérie; Le Calvé, Stéphane; Mirabel, Philippe

    2006-01-01

    The absorption spectra of five pesticides, namely 2,4-dichloro-phenoxy acetic acid (2,4-D), cymoxanil, fenpropidin, isoproturon and pyrimethanil, have been measured in aqueous solution using a set-up consisting of two parallel absorption cells coupled to a CCD detector. The absolute values of their molar absorptivity coefficients ɛ were determined in the wavelength-range 240-344 nm with a deuterium-lamp at room temperature (298 ± 2 K). Using the Beer-Lambert law, values of ɛ were also determined at 253.7 nm with a Hg-Lamp: ɛ = 145 ± 14 for 2,4-D, ɛ = 7940 ± 920 for cymoxanil, ɛ = 196 ± 14 for fenpropidin, ɛ = 7330 ± 880 for isoproturon, ɛ = 13200 ± 1400 for pyrimethanil (in units of M-1 cm-1). The quoted errors correspond to 2σ obtained from the least square fit analysis and the estimated systematic error of 5% due to the uncertainties in aqueous concentrations. For all the studied compounds, the absorbances measured were lower than 2.3 and did not exhibit any deviation from the Beer-Lambert's law. Our experimental data are discussed and compared to UV spectra of similar molecules when such data were available in the literature. Based on their UV spectra and the calculated fractions of these pesticides in the aqueous phase, their direct photolysis under sunlight environment could occur, except may be for fenpropidin, either in water surfaces or in aqueous droplets contained in the atmospheric clouds.

  11. Absorption spectra measurements of the x-ray radiation heated SiO2 aerogel plasma in 'dog-bone' targets irradiated by high power laser pulses

    NASA Astrophysics Data System (ADS)

    Zhang, Y.; Dong, Q.-L.; Wang, S.-J.; Li, Y.-T.; Zhang, J.; Wei, H.-G.; Shi, J.-R.; Zhao, G.; Zhang, J.-Y.; Wen, T.-S.; Zhang, W.-H.; Hu, X.; Liu, S.-Y.; Ding, Y.-K.; Zhang, L.; Tang, Y.-J.; Zhang, B.-H.; Zheng, Z.-J.; Nishimura, H.; Fujioka, S.; Takabe, H.

    2008-05-01

    We studied the opacity effect of the SiO2 aerogel plasma heated by x-ray radiation produced by high power laser pulses irradiating the inner surface of golden 'dog-bone' targets. The PET crystal spectrometer was used to measure the absorption spectra of the plasmas in the range from 6.4 Å to 7.4 Å, among which the line emissions involving the K shell of Si ions from He-like to neutral atom were located. The experimental results were analyzed with Detailed-Level-Accounting method. As the plasma temperature increased, the characteristic lines of highly ionized ions gradually dominated the absorption spectrum.

  12. Continuous light absorption photometer for long-term studies

    NASA Astrophysics Data System (ADS)

    Ogren, John A.; Wendell, Jim; Andrews, Elisabeth; Sheridan, Patrick J.

    2017-12-01

    A new photometer is described for continuous determination of the aerosol light absorption coefficient, optimized for long-term studies of the climate-forcing properties of aerosols. Measurements of the light attenuation coefficient are made at blue, green, and red wavelengths, with a detection limit of 0.02 Mm-1 and a precision of 4 % for hourly averages. The uncertainty of the light absorption coefficient is primarily determined by the uncertainty of the correction scheme commonly used to convert the measured light attenuation to light absorption coefficient and ranges from about 20 % at sites with high loadings of strongly absorbing aerosols up to 100 % or more at sites with low loadings of weakly absorbing aerosols. Much lower uncertainties (ca. 40 %) for the latter case can be achieved with an advanced correction scheme.

  13. Near-infrared spectra of the Martian surface: Reading between the lines

    NASA Technical Reports Server (NTRS)

    Crisp, D.; Bell, J. F., III

    1993-01-01

    Moderate-resolution near-infrared (NIR) spectra of Mars have been widely used in studies of the Martian surface because many candidate surface materials have distinctive absorption features at these wavelengths. Recent advances in NIR detector technology and instrumentation have also encouraged studies in this spectral region. The use of moderate spectral resolution has often been justified for NIR surface observations because the spectral features produced by most surface materials are relatively broad, and easily discriminated at this resolution. In spite of this, NIR spectra of Mars are usually very difficult to interpret quantitatively. One problem is that NIR surface absorption features are often only a few percent deep, requiring observations with great signal-to-noise ratios. A more significant problem is that gases in the Martian atmosphere contribute numerous absorption features at these wavelengths. Ground-based observers must also contend with variable absorption by several gases in the Earth's atmosphere (H2O, CO2, O3, N2O, CH4, O2). The strong CO2 bands near 1.4, 1.6, 2.0, 2.7, 4.3, and 4.8 micrometers largely preclude the analysis of surface spectral features at these wavelengths. Martian atmospheric water vapor also contributes significant absorption near 1.33, 1.88, and 2.7 micrometers, but water vapor in the Earth's atmosphere poses a much larger problem to ground-based studies of these spectral regions. The third most important NIR absorber in the Martian atmosphere is CO. This gas absorbs most strongly in the relatively-transparent spectral windows near 4.6 and 2.3 micrometers. It also produces 1-10 percent absorption in the solar spectrum at these NIR wavelengths. This solar CO absorption cannot be adequately removed by dividing the Martian spectrum by that of a star, as is commonly done to calibrate ground-based spectroscopic observations, because most stars do not have identical amounts of CO absorption in their spectra. Here, we describe tow

  14. Titan solar occultation observations reveal transit spectra of a hazy world.

    PubMed

    Robinson, Tyler D; Maltagliati, Luca; Marley, Mark S; Fortney, Jonathan J

    2014-06-24

    High-altitude clouds and hazes are integral to understanding exoplanet observations, and are proposed to explain observed featureless transit spectra. However, it is difficult to make inferences from these data because of the need to disentangle effects of gas absorption from haze extinction. Here, we turn to the quintessential hazy world, Titan, to clarify how high-altitude hazes influence transit spectra. We use solar occultation observations of Titan's atmosphere from the Visual and Infrared Mapping Spectrometer aboard National Aeronautics and Space Administration's (NASA) Cassini spacecraft to generate transit spectra. Data span 0.88-5 μm at a resolution of 12-18 nm, with uncertainties typically smaller than 1%. Our approach exploits symmetry between occultations and transits, producing transit radius spectra that inherently include the effects of haze multiple scattering, refraction, and gas absorption. We use a simple model of haze extinction to explore how Titan's haze affects its transit spectrum. Our spectra show strong methane-absorption features, and weaker features due to other gases. Most importantly, the data demonstrate that high-altitude hazes can severely limit the atmospheric depths probed by transit spectra, bounding observations to pressures smaller than 0.1-10 mbar, depending on wavelength. Unlike the usual assumption made when modeling and interpreting transit observations of potentially hazy worlds, the slope set by haze in our spectra is not flat, and creates a variation in transit height whose magnitude is comparable to those from the strongest gaseous-absorption features. These findings have important consequences for interpreting future exoplanet observations, including those from NASA's James Webb Space Telescope.

  15. Microscopic Theory and Simulation of Quantum-Well Intersubband Absorption

    NASA Technical Reports Server (NTRS)

    Li, Jianzhong; Ning, C. Z.

    2004-01-01

    We study the linear intersubband absorption spectra of a 15 nm InAs quantum well using the intersubband semiconductor Bloch equations with a three-subband model and a constant dephasing rate. We demonstrate the evolution of intersubband absorption spectral line shape as a function of temperature and electron density. Through a detailed examination of various contributions, such as the phase space filling effects, the Coulomb many-body effects and the non-parabolicity effect, we illuminate the underlying physics that shapes the spectra. Keywords: Intersubband transition, linear absorption, semiconductor heterostructure, InAs quantum well

  16. Near-infrared studies of glucose and sucrose in aqueous solutions: water displacement effect and red shift in water absorption from water-solute interaction.

    PubMed

    Jung, Youngeui; Hwang, Jungseek

    2013-02-01

    We used near infrared spectroscopy to obtain concentration dependent glucose absorption spectra in aqueous solutions in the near-infrared range (3800-7500 cm(-1)). Here we introduce a new method to obtain reliable glucose absorption bands from aqueous glucose solutions without measuring the water displacement coefficients of glucose separately. Additionally, we were able to extract the water displacement coefficients of glucose, and this may offer a new general method using spectroscopy techniques applicable to other water-soluble materials. We also observed red shifts in the absorption bands of water in the hydration shell around solute molecules, which comes from the contribution of the interacting water molecules around the glucose molecules in solutions. The intensity of the red shift gets larger as the concentration increases, which indicates that as the concentration increases more water molecules are involved in the interaction. However, the red shift in frequency does not seem to depend significantly on the concentration. We also performed the same measurements and analysis with sucrose instead of glucose as solute and compared.

  17. Ultraviolet spectra of quenched carbonaceous composite derivatives: Comparison to the '217 nanometer' interstellar absorption feature

    NASA Technical Reports Server (NTRS)

    Sakata, Akira; Wada, Setsuko; Tokunaga, Alan T.; Narisawa, Takatoshi; Nakagawa, Hidehiro; Ono, Hiroshi

    1994-01-01

    QCCs (quenched carbonaceous composite) are amorphus carbonaceous material formed from a hydrocarbon plasma. We present the UV-visible spectra of 'filmy QCC; (obtained outside of the beam ejected from the hydrocarbon plasma) and 'dark QCC' (obtained very near to the beam) for comparison to the stellar extinction curve. When filmy QCC is heated to 500-700 C (thermally altered), the wavelength of the absorption maximum increases form 204 nm to 220-222 nm. The dark QCC has an absorption maximum at 217-222 nm. In addition, the thermally altered filmy QCC has a slope change at about 500 nm which resmbles that in the interstellar extinction curve. The resemblance of the extinction curve of the QCCs to that of the interstellar medium suggests that QCC derivatives may be representative of the type of interstellar material that produces the 217 nm interstellar medium feature. The peak extinction of the dark QCC is higher than the average interstellar extinction curve while that of the thermally altered filmy QCC is lower, so that a mixture of dark and thermally altered filmy QCC can match the peak extinction observed in the interstellar medium. It is shown from electron micrographs that most of the thermally altered flimy QCC is in the form of small grainy structure less than 4 nm in diameter. This shows that the structure unit causing the 217-222 nm feature in QCC is very small.

  18. Particulate and dissolved spectral absorption on the continental shelf of the southeastern United States

    NASA Astrophysics Data System (ADS)

    Nelson, James R.; Guarda, Sonia

    1995-05-01

    Visible absorption spectra of particulate and dissolved materials were characterized on the continental shelf off the southeastern United States (the South Atlantic Bight), emphasizing cross-shelf and seasonal variability. A coastal front separates turbid coastal waters from clearer midshelf waters. Spatial and seasonal patterns were evident in absorption coefficients for phytoplankton, detritus, and colored dissolved organic matter (CDOM); spectral shape parameters for CDOM and detritus; and phytoplankton chlorophyll-specific absorption. The magnitude of CDOM absorption reflected seasonal differences in freshwater discharge and the salinity of the midshelf waters. In the spring of 1993 (high discharge), CDOM absorption at 443 nm was >10 times that of total particulate absorption between 12 and 50 km offshore (0.28-0.69 m-1 versus 0.027-0.062 m-1) and up to 10 times the CDOM absorption measured in the previous summer (low discharge). Phytoplankton chlorophyll-specific absorption in the blue increased with distance from shore (from <0.03 m2 mg-1 in inner shelf waters to ˜0.1 m2 mg-1 at the most seaward stations in summer) and, for similar chlorophyll concentrations, was higher in summer than in the winter-spring. These spatial and seasonal patterns in phytoplankton chlorophyll-specific absorption can be attributed to a shift in phytoplankton species composition (from predominantly diatoms inshore to a cyanobacteria-dominated assemblage midshelf in summer), pigment packaging, and higher carotenoid:chlorophyll with distance from shore.

  19. Effect of morphology and solvent on two-photon absorption of nano zinc oxide

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kavitha, M.K.; Haripadmam, P.C.; Gopinath, Pramod

    Highlights: ► ZnO nanospheres and triangular structures synthesis by novel precipitation technique. ► The effect of precursor concentration on the size and shape of nano ZnO. ► Open aperture Z-scan measurements of the ZnO nanoparticle dispersions. ► Nanospheres exhibit higher two photon absorption coefficient than triangular nanostructures. ► Nanospheres dispersed in water exhibit higher two photon absorption coefficient than its dispersion in 2-propanol. - Abstract: In this paper, we report the effect of morphology and solvent on the two-photon absorption of nano zinc oxide. Zinc oxide nanoparticles in two different morphologies like nanospheres and triangular nanostructures are synthesized by novelmore » precipitation technique and their two-photon absorption coefficient is measured using open aperture Z-scan technique. Experimental results show that the zinc oxide nanospheres exhibit higher two-photon absorption coefficient than the zinc oxide triangular nanostructures. The zinc oxide nanospheres dispersed in water exhibit higher two-photon absorption coefficient than that of its dispersion in 2-propanol. The zinc oxide nanospheres dispersed in water shows a decrease in two-photon absorption coefficient with an increase in on-axis irradiance. The result confirms the dependence of shape and solvent on the two-photon absorption of nano zinc oxide.« less

  20. Electromagnetic-radiation absorption by water.

    PubMed

    Lunkenheimer, P; Emmert, S; Gulich, R; Köhler, M; Wolf, M; Schwab, M; Loidl, A

    2017-12-01

    Why does a microwave oven work? How does biological tissue absorb electromagnetic radiation? Astonishingly, we do not have a definite answer to these simple questions because the microscopic processes governing the absorption of electromagnetic waves by water are largely unclarified. This absorption can be quantified by dielectric loss spectra, which reveal a huge peak at a frequency of the exciting electric field of about 20 GHz and a gradual tailing off toward higher frequencies. The microscopic interpretation of such spectra is highly controversial and various superpositions of relaxation and resonance processes ascribed to single-molecule or molecule-cluster motions have been proposed for their analysis. By combining dielectric, microwave, THz, and far-infrared spectroscopy, here we provide nearly continuous temperature-dependent broadband spectra of water. Moreover, we find that corresponding spectra for aqueous solutions reveal the same features as pure water. However, in contrast to the latter, crystallization in these solutions can be avoided by supercooling. As different spectral contributions tend to disentangle at low temperatures, this enables us to deconvolute them when approaching the glass transition under cooling. We find that the overall spectral development, including the 20 GHz feature (employed for microwave heating), closely resembles the behavior known for common supercooled liquids. Thus water's absorption of electromagnetic waves at room temperature is not unusual but very similar to that of glass-forming liquids at elevated temperatures, deep in the low-viscosity liquid regime, and should be interpreted along similar lines.

  1. Electromagnetic-radiation absorption by water

    NASA Astrophysics Data System (ADS)

    Lunkenheimer, P.; Emmert, S.; Gulich, R.; Köhler, M.; Wolf, M.; Schwab, M.; Loidl, A.

    2017-12-01

    Why does a microwave oven work? How does biological tissue absorb electromagnetic radiation? Astonishingly, we do not have a definite answer to these simple questions because the microscopic processes governing the absorption of electromagnetic waves by water are largely unclarified. This absorption can be quantified by dielectric loss spectra, which reveal a huge peak at a frequency of the exciting electric field of about 20 GHz and a gradual tailing off toward higher frequencies. The microscopic interpretation of such spectra is highly controversial and various superpositions of relaxation and resonance processes ascribed to single-molecule or molecule-cluster motions have been proposed for their analysis. By combining dielectric, microwave, THz, and far-infrared spectroscopy, here we provide nearly continuous temperature-dependent broadband spectra of water. Moreover, we find that corresponding spectra for aqueous solutions reveal the same features as pure water. However, in contrast to the latter, crystallization in these solutions can be avoided by supercooling. As different spectral contributions tend to disentangle at low temperatures, this enables us to deconvolute them when approaching the glass transition under cooling. We find that the overall spectral development, including the 20 GHz feature (employed for microwave heating), closely resembles the behavior known for common supercooled liquids. Thus water's absorption of electromagnetic waves at room temperature is not unusual but very similar to that of glass-forming liquids at elevated temperatures, deep in the low-viscosity liquid regime, and should be interpreted along similar lines.

  2. Electronic Absorption Spectra of Mass-Selected Hydrocarbon Cations in Solid Neon: C_nH_4+ (n=5-8,10,12)

    NASA Astrophysics Data System (ADS)

    Nagy, A.; Fulara, J.; Garkusha, I.; Maier, J. P.

    2011-05-01

    Small, unsaturated hydrocarbons, C_nH_m (n,m≤6), play an important role in astrochemical models as they have been detected in various space objects such as the interstellar medium or envelopes of carbon-rich stars. Although identification of most of these species was based on rotational studies, they are candidate carriers of the infamous diffuse interstellar bands. It has been proposed that corresponding cationic species formed upon UV radiation may also be of astrophysical relevance; therefore, their optical spectra need to be determined. In this contribution, electronic absorption spectra of mass-selected C_nH_4+ (n=5-8,10,12) ions trapped in neon matrices are presented. The cations were produced in a hot-cathode discharge source, guided through a series of electrostatic lenses, mass filtered and co-deposited with excess of neon onto a rhodium-coated sapphire plate held at 6 K. In the same experiments, neutral species were generated from the cations by a photobleaching procedure.

  3. Collision-induced absorption in the region of the ν2 + ν3 band of carbon dioxide

    NASA Astrophysics Data System (ADS)

    Baranov, Yu. I.

    2018-03-01

    The IR absorption spectra of pure carbon dioxide in the region of the forbidden ν2 + ν3 vibrational transition at 3004 cm-1 have been recorded using a Fourier-transform spectrometer. A multipass-optical cell with the path length of 100 m was used in the study. The data were taken at room temperature of 294.8 K with a resolution of 0.02 cm-1 over the spectral region 2500-3500 cm-1. A sample pressures varied from 207 to 463 kPa (2.04-4.57 atm). The measured binary absorption coefficients provide the band integrated intensity value of (2.39 ± 0.04) ∗ 10-4 cm-2 amagat-2. The result is compared with those from previous works. The observed band profile features are discussed.

  4. Quasar Absorption Studies

    NASA Technical Reports Server (NTRS)

    Mushotzky, Richard (Technical Monitor); Elvis, Martin

    2004-01-01

    The aim of the proposal is to investigate the absorption properties of a sample of inter-mediate redshift quasars. The main goals of the project are: Measure the redshift and the column density of the X-ray absorbers; test the correlation between absorption and redshift suggested by ROSAT and ASCA data; constrain the absorber ionization status and metallicity; constrain the absorber dust content and composition through the comparison between the amount of X-ray absorption and optical dust extinction. Unanticipated low energy cut-offs where discovered in ROSAT spectra of quasars and confirmed by ASCA, BeppoSAX and Chandra. In most cases it was not possible to constrain adequately the redshift of the absorber from the X-ray data alone. Two possibilities remain open: a) absorption at the quasar redshift; and b) intervening absorption. The evidences in favour of intrinsic absorption are all indirect. Sensitive XMM observations can discriminate between these different scenarios. If the absorption is at the quasar redshift we can study whether the quasar environment evolves with the Cosmic time.

  5. Sound Absorption Characteristics of Aluminum Foams Treated by Plasma Electrolytic Oxidation

    PubMed Central

    Jin, Wei; Liu, Jiaan; Wang, Zhili; Wang, Yonghua; Cao, Zheng; Liu, Yaohui; Zhu, Xianyong

    2015-01-01

    Open-celled aluminum foams with different pore sizes were fabricated. A plasma electrolytic oxidation (PEO) treatment was applied on the aluminum foams to create a layer of ceramic coating. The sound absorption coefficients of the foams were measured by an impedance tube and they were calculated by a transfer function method. The experimental results show that the sound absorption coefficient of the foam increases gradually with the decrease of pore size. Additionally, when the porosity of the foam increases, the sound absorption coefficient also increases. The PEO coating surface is rough and porous, which is beneficial for improvement in sound absorption. After PEO treatment, the maximum sound absorption of the foam is improved to some extent. PMID:28793653

  6. Photon diffusion coefficient in scattering and absorbing media.

    PubMed

    Pierrat, Romain; Greffet, Jean-Jacques; Carminati, Rémi

    2006-05-01

    We present a unified derivation of the photon diffusion coefficient for both steady-state and time-dependent transport in disordered absorbing media. The derivation is based on a modal analysis of the time-dependent radiative transfer equation. This approach confirms that the dynamic diffusion coefficient is given by the random-walk result D = cl(*)/3, where l(*) is the transport mean free path and c is the energy velocity, independent of the level of absorption. It also shows that the diffusion coefficient for steady-state transport, often used in biomedical optics, depends on absorption, in agreement with recent theoretical and experimental works. These two results resolve a recurrent controversy in light propagation and imaging in scattering media.

  7. THz spectra of cortisone and the related medicine

    NASA Astrophysics Data System (ADS)

    Ma, Shihua; Ge, Min; Liu, Guifeng; Song, Xiyu; Zhang, Peng; Wang, Wenfeng

    2009-07-01

    THz-TDS are used to study four kinds of drug: cortisone, hydrocortisone, prednisone and prednisolone. The THz spectra of them are obtained and analyzed from 0.2 - 1.6 THz. The experimental results shows the four samples have the different THz spectra. Cortisone has a peak at 1.5 THz and a broad absorption peak at 0.96 THz, while hydrocortisone has a weak absorption peak that lies at 1.27 THz. At the same time the prednisone has the stronger absorption peaks than the others, and its two peaks shows at 1.24 THz and 1.5 THz. Prednisolone has a weak broad peak at 1.43 THz. The results of the theoretical calculation were performed using Gaussian 03 software with Density Functional Theory at the basis set of 6-31+G (d, p). The theoretical vibrational frequencies are compared with the experimental results, and the deviations are discussed. The THz spectra of the medicine show THz technique may be help to distinguish some different chemical bond and functional group.

  8. Measurement of two-photon-absorption spectra through nonlinear fluorescence produced by a line-shaped excitation beam.

    PubMed

    Hasani, E; Parravicini, J; Tartara, L; Tomaselli, A; Tomassini, D

    2018-05-01

    We propose an innovative experimental approach to estimate the two-photon absorption (TPA) spectrum of a fluorescent material. Our method develops the standard indirect fluorescence-based method for the TPA measurement by employing a line-shaped excitation beam, generating a line-shaped fluorescence emission. Such a configuration, which requires a relatively high amount of optical power, permits to have a greatly increased fluorescence signal, thus avoiding the photon counterdetection devices usually used in these measurements, and allowing to employ detectors such as charge-coupled device (CCD) cameras. The method is finally tested on a fluorescent isothiocyanate sample, whose TPA spectrum, which is measured with the proposed technique, is compared with the TPA spectra reported in the literature, confirming the validity of our experimental approach. © 2018 The Authors Journal of Microscopy © 2018 Royal Microscopical Society.

  9. Infrared Spectra and Optical Constants of Astronomical Ices: I. Amorphous and Crystalline Acetylene

    NASA Technical Reports Server (NTRS)

    Hudson, R. L.; Ferrante, R. F.; Moore, M. H.

    2013-01-01

    Here we report recent measurements on acetylene (C2H2) ices at temperatures applicable to the outer Solar System and the interstellar medium. New near- and mid-infrared data, including optical constants (n, k), absorption coefficients (alpha), and absolute band strengths (A), are presented for both amorphous and crystalline phases of C2H2 that exist below 70 K. Comparisons are made to earlier work. Electronic versions of the data are made available, as is a computer routine to use our reported n and k values to simulate the observed IR spectra. Suggestions are given for the use of the data and a comparison to a spectrum of Makemake is made.

  10. OH absorption spectroscopy in a flame using spatial heterodyne spectroscopy

    NASA Astrophysics Data System (ADS)

    Bartula, Renata J.; Ghandhi, Jaal B.; Sanders, Scott T.; Mierkiewicz, Edwin J.; Roesler, Fred L.; Harlander, John M.

    2007-12-01

    We demonstrate measurements of OH absorption spectra in the post-flame zone of a McKenna burner using spatial heterodyne spectroscopy (SHS). SHS permits high-resolution, high-throughput measurements. In this case the spectra span ~308-310 nm with a resolution of 0.03 nm, even though an extended source (extent of ~2×10-7 m2 rad2) was used. The high spectral resolution is important for interpreting spectra when multiple absorbers are present for inferring accurate gas temperatures from measured spectra and for monitoring weak absorbers. The present measurement paves the way for absorption spectroscopy by SHS in practical combustion devices, such as reciprocating and gas-turbine engines.

  11. Titan solar occultation observations reveal transit spectra of a hazy world

    PubMed Central

    Robinson, Tyler D.; Maltagliati, Luca; Marley, Mark S.; Fortney, Jonathan J.

    2014-01-01

    High-altitude clouds and hazes are integral to understanding exoplanet observations, and are proposed to explain observed featureless transit spectra. However, it is difficult to make inferences from these data because of the need to disentangle effects of gas absorption from haze extinction. Here, we turn to the quintessential hazy world, Titan, to clarify how high-altitude hazes influence transit spectra. We use solar occultation observations of Titan’s atmosphere from the Visual and Infrared Mapping Spectrometer aboard National Aeronautics and Space Administration’s (NASA) Cassini spacecraft to generate transit spectra. Data span 0.88–5 μm at a resolution of 12–18 nm, with uncertainties typically smaller than 1%. Our approach exploits symmetry between occultations and transits, producing transit radius spectra that inherently include the effects of haze multiple scattering, refraction, and gas absorption. We use a simple model of haze extinction to explore how Titan’s haze affects its transit spectrum. Our spectra show strong methane-absorption features, and weaker features due to other gases. Most importantly, the data demonstrate that high-altitude hazes can severely limit the atmospheric depths probed by transit spectra, bounding observations to pressures smaller than 0.1–10 mbar, depending on wavelength. Unlike the usual assumption made when modeling and interpreting transit observations of potentially hazy worlds, the slope set by haze in our spectra is not flat, and creates a variation in transit height whose magnitude is comparable to those from the strongest gaseous-absorption features. These findings have important consequences for interpreting future exoplanet observations, including those from NASA’s James Webb Space Telescope. PMID:24876272

  12. Multispectrum analysis of air-broadened spectra in the ν 3 Q branch of 12CH4

    DOE PAGES

    Devi, V. Malathy; Benner, D. Chris; Gamache, Robert R.; ...

    2017-12-06

    In this paper, we report experimental measurements of spectral line shape parameters (air-broadened width, shift, and line mixing coefficients) for several transitions in the ν 3 Q branch of methane in the 3000–3023 cm -1 region. 13 high-resolution, room temperature laboratory spectra of pure methane and air-broadened methane recorded with two different Fourier transform spectrometers are fitted. 12 of these spectra were acquired at 0.01 cm -1 resolution with the McMath-Pierce FTS at the National Solar Observatory on Kitt Peak, and one higher-resolution (~0.0011 cm-1) low pressure methane spectrum was obtained with the Bruker IFS-120HR FTS at the Pacific Northwestmore » National Laboratory, in Richland, Washington. All the spectra were obtained using high purity natural samples of CH 4 and lean mixtures of the same natural CH 4 in dry air. For the 12 spectra recorded at Kitt Peak, three different absorption cells (L= 5, 25 and 150 cm) were used while the methane spectrum at PNNL was obtained using a 19.95 cm long absorption cell. For the analysis, an interactive multispectrum nonlinear least squares fitting software was employed where all the 13 spectra were fitted simultaneously. An accurate and self-consistent set of line parameters were determined by constraining a few of those for severely blended transitions. Line mixing was measured for fourteen transition pairs for the CH 4-air collision system. Lastly, a constant speed dependence parameter, consistent with measured speed dependence values obtained in other methane bands, was applied to all the transitions included in the fitted region. The present measurements are compared to values reported in the literature.« less

  13. Characterization of Artifacts Introduced by the Empirical Volcano-Scan Atmospheric Correction Commonly Applied to CRISM and OMEGA Near-Infrared Spectra

    NASA Technical Reports Server (NTRS)

    Wiseman, S.M.; Arvidson, R.E.; Wolff, M. J.; Smith, M. D.; Seelos, F. P.; Morgan, F.; Murchie, S. L.; Mustard, J. F.; Morris, R. V.; Humm, D.; hide

    2014-01-01

    The empirical volcano-scan atmospheric correction is widely applied to Martian near infrared CRISM and OMEGA spectra between 1000 and 2600 nanometers to remove prominent atmospheric gas absorptions with minimal computational investment. This correction method employs division by a scaled empirically-derived atmospheric transmission spectrum that is generated from observations of the Martian surface in which different path lengths through the atmosphere were measured and transmission calculated using the Beer-Lambert Law. Identifying and characterizing both artifacts and residual atmospheric features left by the volcano-scan correction is important for robust interpretation of CRISM and OMEGA volcano scan corrected spectra. In order to identify and determine the cause of spectral artifacts introduced by the volcano-scan correction, we simulated this correction using a multiple scattering radiative transfer algorithm (DISORT). Simulated transmission spectra that are similar to actual CRISM- and OMEGA-derived transmission spectra were generated from modeled Olympus Mons base and summit spectra. Results from the simulations were used to investigate the validity of assumptions inherent in the volcano-scan correction and to identify artifacts introduced by this method of atmospheric correction. We found that the most prominent artifact, a bowl-shaped feature centered near 2000 nanometers, is caused by the inaccurate assumption that absorption coefficients of CO2 in the Martian atmosphere are independent of column density. In addition, spectral albedo and slope are modified by atmospheric aerosols. Residual atmospheric contributions that are caused by variable amounts of dust aerosols, ice aerosols, and water vapor are characterized by the analysis of CRISM volcano-scan corrected spectra from the same location acquired at different times under variable atmospheric conditions.

  14. Characterization of artifacts introduced by the empirical volcano-scan atmospheric correction commonly applied to CRISM and OMEGA near-infrared spectra

    NASA Astrophysics Data System (ADS)

    Wiseman, S. M.; Arvidson, R. E.; Wolff, M. J.; Smith, M. D.; Seelos, F. P.; Morgan, F.; Murchie, S. L.; Mustard, J. F.; Morris, R. V.; Humm, D.; McGuire, P. C.

    2016-05-01

    The empirical 'volcano-scan' atmospheric correction is widely applied to martian near infrared CRISM and OMEGA spectra between ∼1000 and ∼2600 nm to remove prominent atmospheric gas absorptions with minimal computational investment. This correction method employs division by a scaled empirically-derived atmospheric transmission spectrum that is generated from observations of the martian surface in which different path lengths through the atmosphere were measured and transmission calculated using the Beer-Lambert Law. Identifying and characterizing both artifacts and residual atmospheric features left by the volcano-scan correction is important for robust interpretation of CRISM and OMEGA volcano-scan corrected spectra. In order to identify and determine the cause of spectral artifacts introduced by the volcano-scan correction, we simulated this correction using a multiple scattering radiative transfer algorithm (DISORT). Simulated transmission spectra that are similar to actual CRISM- and OMEGA-derived transmission spectra were generated from modeled Olympus Mons base and summit spectra. Results from the simulations were used to investigate the validity of assumptions inherent in the volcano-scan correction and to identify artifacts introduced by this method of atmospheric correction. We found that the most prominent artifact, a bowl-shaped feature centered near 2000 nm, is caused by the inaccurate assumption that absorption coefficients of CO2 in the martian atmosphere are independent of column density. In addition, spectral albedo and slope are modified by atmospheric aerosols. Residual atmospheric contributions that are caused by variable amounts of dust aerosols, ice aerosols, and water vapor are characterized by the analysis of CRISM volcano-scan corrected spectra from the same location acquired at different times under variable atmospheric conditions.

  15. A new photometric ozone reference in the Huggins bands: the absolute ozone absorption cross section at the 325 nm HeCd laser wavelength

    NASA Astrophysics Data System (ADS)

    Janssen, Christof; Elandaloussi, Hadj; Gröbner, Julian

    2018-03-01

    The room temperature (294.09 K) absorption cross section of ozone at the 325 nm HeCd wavelength has been determined under careful consideration of possible biases. At the vacuum wavelength of 325.126 nm, thus in a region used by a variety of ozone remote sensing techniques, an absorption cross-section value of σ = 16.470×10-21 cm2 was measured. The measurement provides the currently most accurate direct photometric absorption value of ozone in the UV with an expanded (coverage factor k = 2) standard uncertainty u(σ) = 31×10-24 cm2, corresponding to a relative level of 2 ‰. The measurements are most compatible with a relative temperature coefficient cT = σ-1 ∂ Tσ = 0.0031 K-1 at 294 K. The cross section and its uncertainty value were obtained using generalised linear regression with correlated uncertainties. It will serve as a reference for ozone absorption spectra required for the long-term remote sensing of atmospheric ozone in the Huggins bands. The comparison with commonly used absorption cross-section data sets for remote sensing reveals a possible bias of about 2 %. This could partly explain a 4 % discrepancy between UV and IR remote sensing data and indicates that further studies will be required to reach the accuracy goal of 1 % in atmospheric reference spectra.

  16. Measurement of polarization dependence of two-photon absorption coefficient in InP using extended Z-scan technique for thick materials

    NASA Astrophysics Data System (ADS)

    Oishi, Masaki; Shinozaki, Tomohisa; Hara, Hikaru; Yamamoto, Kazunuki; Matsusue, Toshio; Bando, Hiroyuki

    2018-03-01

    The two-photon absorption coefficient β in InP has been measured in the wavelength range of 1640 to 1800 nm by the Z-scan technique in relatively thick materials. The values of β have been evaluated from the fit to the equation including the spatial and temporal profiles of the focused Gaussian beam. The polarization dependence of β has also been measured. The dependence has been expressed very well by the expression of β with the imaginary part of the third-order nonlinear susceptibility tensor χ(3).

  17. Spectroscopic identification of individual fluorophores using photoluminescence excitation spectra.

    PubMed

    Czerski, J; Colomb, W; Cannataro, F; Sarkar, S K

    2018-01-25

    The identity of a fluorophore can be ambiguous if other fluorophores or nonspecific fluorescent impurities have overlapping emission spectra. The presence of overlapping spectra makes it difficult to differentiate fluorescent species using discrete detection channels and unmixing of spectra. The unique absorption and emission signatures of fluorophores provide an opportunity for spectroscopic identification. However, absorption spectroscopy may be affected by scattering, whereas fluorescence emission spectroscopy suffers from signal loss by gratings or other dispersive optics. Photoluminescence excitation spectra, where excitation is varied and emission is detected at a fixed wavelength, allows hyperspectral imaging with a single emission filter for high signal-to-background ratio without any moving optics on the emission side. We report a high throughput method for measuring the photoluminescence excitation spectra of individual fluorophores using a tunable supercontinuum laser and prism-type total internal reflection fluorescence microscope. We used the system to measure and sort the photoluminescence excitation spectra of individual Alexa dyes, fluorescent nanodiamonds (FNDs), and fluorescent polystyrene beads. We used a Gaussian mixture model with maximum likelihood estimation to objectively separate the spectra. Finally, we spectroscopically identified different species of fluorescent nanodiamonds with overlapping spectra and characterized the heterogeneity of fluorescent nanodiamonds of varying size. © 2018 The Authors Journal of Microscopy © 2018 Royal Microscopical Society.

  18. Quantitative infrared absorption cross-sections of isoprene for atmospheric measurements

    DOE PAGES

    Brauer, C. S.; Blake, T. A.; Guenther, A. B.; ...

    2014-04-25

    Isoprene (C 5H 8, 2-methyl-1,3-butadiene) is a volatile organic compound (VOC) that is one of the primary contributors to annual global VOC emissions. Produced by vegetation as well as anthropogenic sources, the OH- and O 3-initiated oxidations of isoprene are a major source of atmospheric oxygenated organics. Few quantitative infrared studies have been reported for isoprene, however, limiting the ability to quantify isoprene emissions via stand-off infrared or in situ detection. We thus report absorption coefficients and integrated band intensities for isoprene in the 600–6500 cm −1 region. The pressure-broadened (1 atmosphere N 2) spectra were recorded at 278, 298more » and 323 K in a 19.94 cm path length cell at 0.112 cm −1 resolution, using a Bruker 66v FTIR. Composite spectra are derived from a minimum of seven isoprene sample pressures at each temperature and the number densities are normalized to 296 K and 1 atmosphere.« less

  19. Soft X-Ray Absorption Spectroscopy of High-Abrasion-Furnace Carbon Black

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Muramatsu, Yasuji; Harada, Ryusuke; Gullikson, Eric M.

    2007-02-02

    The soft x-ray absorption spectra of high-abrasion-furnace carbon black were measured to obtain local-structure/chemical-states information of the primary particles and/or crystallites. The soft x-ray absorption spectral features of carbon black represent broader {pi}* and {sigma}* peak structures compared to highly oriented pyrolytic graphite (HOPG). The subtracted spectra between the carbon black and HOPG, (carbon black) - (HOPG), show double-peak structures on both sides of the {pi}* peak. The lower-energy peak, denoted as the 'pre-peak', in the subtracted spectra and the {pi}*/{sigma}* peak intensity ratio in the absorption spectra clearly depend on the specific surface area by nitrogen adsorption (NSA). Therefore,more » it is concluded that the pre-peak intensity and the {pi}*/{sigma}* ratio reflect the local graphitic structure of carbon black.« less

  20. Estimating absorption coefficients of colored dissolved organic matter (CDOM) using a semi-analytical algorithm for southern Beaufort Sea waters: application to deriving concentrations of dissolved organic carbon from space

    NASA Astrophysics Data System (ADS)

    Matsuoka, A.; Hooker, S. B.; Bricaud, A.; Gentili, B.; Babin, M.

    2013-02-01

    A series of papers have suggested that freshwater discharge, including a large amount of dissolved organic matter (DOM), has increased since the middle of the 20th century. In this study, a semi-analytical algorithm for estimating light absorption coefficients of the colored fraction of DOM (CDOM) was developed for southern Beaufort Sea waters using remote sensing reflectance at six wavelengths in the visible spectral domain corresponding to MODIS ocean color sensor. This algorithm allows the separation of colored detrital matter (CDM) into CDOM and non-algal particles (NAP) through the determination of NAP absorption using an empirical relationship between NAP absorption and particle backscattering coefficients. Evaluation using independent datasets, which were not used for developing the algorithm, showed that CDOM absorption can be estimated accurately to within an uncertainty of 35% and 50% for oceanic and coastal waters, respectively. A previous paper (Matsuoka et al., 2012) showed that dissolved organic carbon (DOC) concentrations were tightly correlated with CDOM absorption in our study area (r2 = 0.97). By combining the CDOM absorption algorithm together with the DOC versus CDOM relationship, it is now possible to estimate DOC concentrations in the near-surface layer of the southern Beaufort Sea using satellite ocean color data. DOC concentrations in the surface waters were estimated using MODIS ocean color data, and the estimates showed reasonable values compared to in situ measurements. We propose a routine and near real-time method for deriving DOC concentrations from space, which may open the way to an estimate of DOC budgets for Arctic coastal waters.