Science.gov

Sample records for absorption line spectra

  1. A catalogue of absorption-line systems in QSO spectra

    NASA Astrophysics Data System (ADS)

    Ryabinkov, A. I.; Kaminker, A. D.; Varshalovich, D. A.

    2003-12-01

    We present a new catalog of absorption-line systems identified in the quasar spectra. It contains data on 821 QSOs and 8558 absorption systems comprising 16 139 absorption lines with measured redshifts in the QSO spectra. The catalog includes absorption-line systems consisting of lines of heavy elements, lines of neutral hydrogen, Lyman limit systems, damped Lyα absorption systems, and broad absorption-line systems. Using the data of the present catalog we also discuss redshift distributions of absorption-line systems. Tables 1 and 2 are only available in electronic form at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsweb.u-strasbg.fr/cgi-bin/qcat?J/A+A/412/707

  2. Oscillator strength measurements of atomic absorption lines from stellar spectra

    NASA Astrophysics Data System (ADS)

    Lobel, Alex

    2011-05-01

    Herein we develop a new method to determine oscillator strength values of atomic absorption lines with state-of-the-art detailed spectral synthesis calculations of the optical spectrum of the Sun and of standard spectral reference stars. We update the log(gf) values of 911 neutral lines observed in the KPNO-FTS flux spectrum of the Sun and high-resolution echelle spectra (R = 80 000) of Procyon (F5 IV-V) and Eps Eri (K2 V) observed with large signal-to-noise (S/N) ratios of 2000 using the new Mercator-Hermes spectrograph at La Palma Observatory (Spain). We find for 483 Fe I, 85 Ni I, and 51 Si I absorption lines in the sample a systematic overestimation of the literature log(gf) values with central line depths below 15%. We employ a curve-of-growth analysis technique to test the accuracy of the new oscillator strength values and compare calculated equivalent line widths to the Moore, Minnaert, and Houtgast atlas of the Sun. The online SpectroWeb database at http://spectra.freeshell.org interactively displays the observed and synthetic spectra and provides the new log(gf) values together with important atomic line data. The graphical database is under development for stellar reference spectra of every spectral sub-class observed with large spectral resolution and S/N ratios.

  3. Observational Cosmology Using Absorption Lines in Quasar Spectra

    NASA Astrophysics Data System (ADS)

    Aghaee, A.

    2016-09-01

    Distant, highly luminous quasars are important cosmological probes for a variety of astrophysical questions: the first generation of galaxies, the star formation history and metal enrichment in the early Universe, the growth of the first super massive black holes (SMBHs), the role of feedback from quasars and SMBHs in galaxy evolution, the epoch of reionization, etc. In addition, they are used as background illuminating source that reveal any object located by chance on the line of sight. I will present our group works in these issues that can be done using absorption lines in the quasar spectra.

  4. Monitoring the variability of intrinsic absorption lines in quasar spectra , ,

    SciTech Connect

    Misawa, Toru; Charlton, Jane C.; Eracleous, Michael

    2014-09-01

    We have monitored 12 intrinsic narrow absorption lines (NALs) in five quasars and seven mini-broad absorption lines (mini-BALs) in six quasars for a period of 4-12 yr (1-3.5 yr in the quasar rest-frame). We present the observational data and the conclusions that follow immediately from them, as a prelude to a more detailed analysis. We found clear variability in the equivalent widths (EWs) of the mini-BAL systems but no easily discernible changes in their profiles. We did not detect any variability in the NAL systems or in narrow components that are often located at the center of mini-BAL profiles. Variations in mini-BAL EWs are larger at longer time intervals, reminiscent of the trend seen in variable BALs. If we assume that the observed variations result from changes in the ionization state of the mini-BAL gas, we infer lower limits to the gas density ∼10{sup 3}-10{sup 5} cm{sup –3} and upper limits on the distance of the absorbers from the central engine of the order of a few kiloparsecs. Motivated by the observed variability properties, we suggest that mini-BALs can vary because of fluctuations of the ionizing continuum or changes in partial coverage while NALs can vary primarily because of changes in partial coverage.

  5. Monitoring the Variability of Intrinsic Absorption Lines in Quasar Spectra

    NASA Astrophysics Data System (ADS)

    Misawa, Toru; Charlton, Jane C.; Eracleous, Michael

    2014-09-01

    We have monitored 12 intrinsic narrow absorption lines (NALs) in five quasars and seven mini-broad absorption lines (mini-BALs) in six quasars for a period of 4-12 yr (1-3.5 yr in the quasar rest-frame). We present the observational data and the conclusions that follow immediately from them, as a prelude to a more detailed analysis. We found clear variability in the equivalent widths (EWs) of the mini-BAL systems but no easily discernible changes in their profiles. We did not detect any variability in the NAL systems or in narrow components that are often located at the center of mini-BAL profiles. Variations in mini-BAL EWs are larger at longer time intervals, reminiscent of the trend seen in variable BALs. If we assume that the observed variations result from changes in the ionization state of the mini-BAL gas, we infer lower limits to the gas density ~103-105 cm-3 and upper limits on the distance of the absorbers from the central engine of the order of a few kiloparsecs. Motivated by the observed variability properties, we suggest that mini-BALs can vary because of fluctuations of the ionizing continuum or changes in partial coverage while NALs can vary primarily because of changes in partial coverage. Based on data collected at Subaru telescope, which is operated by the National Astronomical Observatory of Japan. Based on observations obtained at the European Southern Observatory at La Silla, Chile in programs 65.O-0063(B), 65.O-0474(A), 67.A-0078(A), 68.A-0461(A), 69.A-0204(A), 70.B-0522(A), 072.A-0346(A), 076.A-0860(A), 079.B-0469(A), and 166.A-0106(A).

  6. Absorption Spectra of Broadened Sodium Resonance Lines in Presence of Rare Gases

    SciTech Connect

    Chung, H-K; Shurgalin, M; Babb, J F

    2002-09-11

    The pressure broadening of alkali-metal lines is a fundamental problem with numerous applications. For example, the sodium resonance lines broadened by xenon are important in the production of broad spectra emitted in the HPS (High-Pressure Sodium) lamp and they potentially can be used for gas condition diagnostics. Broadened absorption lines of alkali-metal atoms are prominent in the optical spectra of brown dwarfs and understanding the broadening mechanism will help elucidate the chemical composition and atmospheric properties of those stars. The far-line wing spectra of sodium resonance lines broadened by rare gases are found to exhibit molecular characteristics such as satellites and hence the total absorption coefficients for vapors of Na atoms and perturbing rare gas atoms can be modeled as Na-RG (rare gas) molecular absorption spectra. In this work, using carefully chosen interatomic potentials for Na-RG molecules we carry out quantum-mechanical calculations for reduced absorption coefficients for vapors composed of Na-He, Na-Ar, and Na-Xe. Calculated spectra are compared to available experimental results and the agreement is good in the measured satellite positions and shapes.

  7. Radiatively driven winds for different power law spectra. [for explaining narrow and broad quasar absorption lines

    NASA Technical Reports Server (NTRS)

    Beltrametti, M.

    1980-01-01

    The analytic solutions for radiatively driven winds are given for the case in which the winds are driven by absorption of line and continuum radiation. The wind solutions are analytically estimated for different parameters of the central source and for different power law spectra. For flat spectra, three sonic points can exist; it is shown, however, that only one of these sonic points is physically realistic. Parameters of the central source are given which generate winds of further interest for explaining the narrow and broad absorption lines in quasars. For the quasar model presented here, winds which could give rise to the narrow absorption lines are generated by central sources with parameters which are not realistic for quasars.

  8. Radiatively driven winds for different power law spectra. [for explaining narrow and broad quasar absorption lines

    NASA Technical Reports Server (NTRS)

    Beltrametti, M.

    1980-01-01

    The analytic solutions for radiatively driven winds are given for the case in which the winds are driven by absorption of line and continuum radiation. The wind solutions are analytically estimated for different parameters of the central source and for different power law spectra. For flat spectra, three sonic points can exist; it is shown, however, that only one of these sonic points is physically realistic. Parameters of the central source are given which generate winds of further interest for explaining the narrow and broad absorption lines in quasars. For the quasar model presented here, winds which could give rise to the narrow absorption lines are generated by central sources with parameters which are not realistic for quasars.

  9. 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*.

  10. 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.

  11. [Laser induced breakdown spectra of coal sample and self-absorption of the spectral line].

    PubMed

    Zhang, Gui-yin; Ji, Hui; Jin, Yi-dong

    2014-12-01

    The LIBS of one kind of household fuel coal was obtained with the first harmonic output 532 nm of an Nd·YAG laser as radiation source. With the assignment of the spectral lines, it was found that besides the elements C, Si, Mg, Fe, Al, Ca, Ti, Na and K, which are reported to be contained in coal, the presented sample also contains trace elements, such as Cd, Co, Hf, Ir, Li, Mn, Ni, Rb, Sr, V, W, Zn, Zr etc, but the spectral lines corresponding to O and H elements did not appear in the spectra. This is owing to the facts that the transition probability of H and O atoms is small and the energy of the upper level for transition is higher. The results of measurement also show that the intensity of spectral line increases with the laser pulse energy and self-absorption of the spectral lines K766.493 nm and K769.921 nm will appear to some extent. Increasing laser energy further will make self-absorption more obvious. The presence of self-absorption can be attributed to two factors. One is the higher transition rate of K atoms, and the other is that the increase in laser intensity induces the enhancement of the particle number density in the plasma.

  12. A Survey for Intervening CIV Absorption-Line Systems Using SDSS Quasar Spectra

    NASA Astrophysics Data System (ADS)

    Monier, Eric M.; Nestor, D. B.; Daino, M. M.; Quider, A. M.; Rao, S. M.; Turnshek, D. A.

    2006-06-01

    Intervening CIV absorption-line systems are readily found in Sloan Digital Sky Survey (SDSS) quasar spectra at redshifts z > 1.5. Given the large number of absorbers, high statistical accuracy is possible in comparison to what was possible in the past. Here we present preliminary results on the incidence and evolution of the CIV systems as a function of CIV rest equivalent width. The absorber incidence is proportional to the product of gas cross-section and co-moving number density of absorbers, while the rest equivalent width is related to their kinematic spread. We discuss the interpretation of our results.

  13. Determination of vibration-rotation lines intensities from absorption Fourier spectra

    NASA Technical Reports Server (NTRS)

    Mandin, J. Y.

    1979-01-01

    The method presented allows the line intensities to be calculated from either their equivalent widths, heights, or quantities deduced from spectra obtained by Fourier spectrometry. This method has proven its effectiveness in measuring intensities of 60 lines of the molecule H2O with a precision of 10%. However, this method cannot be applied to isolated lines.

  14. The SLUGGS survey: globular cluster stellar population trends from weak absorption lines in stacked spectra

    NASA Astrophysics Data System (ADS)

    Usher, Christopher; Forbes, Duncan A.; Brodie, Jean P.; Romanowsky, Aaron J.; Strader, Jay; Conroy, Charlie; Foster, Caroline; Pastorello, Nicola; Pota, Vincenzo; Arnold, Jacob A.

    2015-01-01

    As part of the SAGES Legacy Unifying Globulars and GalaxieS (SLUGGS) survey, we stack 1137 Keck DEIMOS (Deep Imaging Multi-Object Spectrograph) spectra of globular clusters from 10 galaxies to study their stellar populations in detail. The stacked spectra have median signal-to-noise ratios of ˜90 Å-1. Besides the calcium triplet, we study weaker sodium, magnesium, titanium and iron lines as well as the Hα and higher order Paschen hydrogen lines. In general, the stacked spectra are consistent with old ages and a Milky Way-like initial mass function. However, we see different metal line index strengths at fixed colour and magnitude, and differences in the calcium triplet-colour relation from galaxy to galaxy. We interpret this as strong evidence for variations in the globular cluster colour-metallicity relation between galaxies. Two possible explanations for the colour-metallicity relation variations are that the average ages of globular clusters vary from galaxy to galaxy or that the average abundances of light elements (i.e. He, C, N and O) differ between galaxies. Stacking spectra by magnitude, we see that the colours become redder and metal line indices stronger with brighter magnitudes. These trends are consistent with the previously reported `blue tilts' being mass-metallicity relations.

  15. Impact of broadened laser line-shape on retrievals of atmospheric species from lidar sounding absorption spectra.

    PubMed

    Chen, Jeffrey R; Numata, Kenji; Wu, Stewart T

    2015-02-09

    We examine the impact of broadened laser line-shape on retrievals of atmospheric species from lidar-sounding absorption spectra. The laser is assumed to be deterministically modulated into a stable, nearly top-hat frequency comb to suppress the stimulated Brillouin scattering, allowing over 10-fold pulse energy increase without adding measurement noise. Our model remains accurate by incorporating the laser line-shape factor into the effective optical depth. Retrieval errors arising from measurement noise and model bias are analyzed parametrically and numerically to provide deeper insight. The stable laser line-shape broadening minimally degrades the column-averaged retrieval, but can significantly degrade the multiple-layer retrievals.

  16. First detection of ionized helium absorption lines in infrared K band spectra of O-type stars

    NASA Technical Reports Server (NTRS)

    Conti, Peter S.; Block, David L.; Geballe, T. R.; Hanson, Margaret M.

    1993-01-01

    We have obtained high SNR, moderate-resolution K band spectra of two early O-type main sequence stars, HD 46150 O5 V, and HD 46223 O4 V, in the Rosette Nebula. We report the detection, for the first time, of the 2.189 micron He II line in O-type stars. Also detected is the 2.1661 micron Br-gamma line in absorption. The 2.058 micron He I line appears to be present in absorption in both stars, although its appearance at our resolution is complicated by atmospheric features. These three lines can form the basis for a spectral classification system for hot stars in the K band that may be used at infrared wavelengths to elucidate the nature of those luminous stars in otherwise obscured H II and giant H II regions.

  17. First detection of ionized helium absorption lines in infrared K band spectra of O-type stars

    NASA Technical Reports Server (NTRS)

    Conti, Peter S.; Block, David L.; Geballe, T. R.; Hanson, Margaret M.

    1993-01-01

    We have obtained high SNR, moderate-resolution K band spectra of two early O-type main sequence stars, HD 46150 O5 V, and HD 46223 O4 V, in the Rosette Nebula. We report the detection, for the first time, of the 2.189 micron He II line in O-type stars. Also detected is the 2.1661 micron Br-gamma line in absorption. The 2.058 micron He I line appears to be present in absorption in both stars, although its appearance at our resolution is complicated by atmospheric features. These three lines can form the basis for a spectral classification system for hot stars in the K band that may be used at infrared wavelengths to elucidate the nature of those luminous stars in otherwise obscured H II and giant H II regions.

  18. 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.

  19. Effect of a progressive sound wave on the profiles of spectral lines. 2: Asymmetry of faint Fraunhofer lines. [absorption spectra

    NASA Technical Reports Server (NTRS)

    Kostyk, R. I.

    1974-01-01

    The absorption coefficient profile was calculated for lines of different chemical elements in a medium with progressive sound waves. Calculations show that (1) the degree and direction of asymmetry depend on the atomic ionization potential and the potential of lower level excitation of the individual line; (2) the degree of asymmetry of a line decreases from the center toward the limb of the solar disc; and (3) turbulent motions 'suppress' the asymmetry.

  20. Searching for narrow absorption and emission lines in XMM-Newton spectra of gamma-ray bursts

    NASA Astrophysics Data System (ADS)

    Campana, S.; Braito, V.; D'Avanzo, P.; Ghirlanda, G.; Melandri, A.; Pescalli, A.; Salafia, O. S.; Salvaterra, R.; Tagliaferri, G.; Vergani, S. D.

    2016-08-01

    We present the results of a spectroscopic search for narrow emission and absorption features in the X-ray spectra of long gamma-ray burst (GRB) afterglows. Using XMM-Newton data, both EPIC and RGS spectra, of six bright (fluence > 10-7 erg cm-2) and relatively nearby (z = 0.54-1.41) GRBs, we performed a blind search for emission or absorption lines that could be related to a high cloud density or metal-rich gas in the environ close to the GRBs. We detected five emission features in four of the six GRBs with an overall statistical significance, assessed through Monte Carlo simulations, of ≲ 3.0σ. Most of the lines are detected around the observed energy of the oxygen edge at ~ 0.5 keV, suggesting that they are not related to the GRB environment but are most likely of Galactic origin. No significant absorption features were detected. A spectral fitting with a free Galactic column density (NH) testing different models for the Galactic absorption confirms this origin because we found an indication of an excess of Galactic NH in these four GRBs with respect to the tabulated values.

  1. Testing Accretion Disk Wind Models of Broad Absorption Line Quasars with SDSS Spectra

    NASA Astrophysics Data System (ADS)

    Lindgren, Sean; Gabel, Jack

    2017-06-01

    We present an investigation of a large sample of broad absorption line (BAL) quasars (QSO) from the Sloan Digital Sky Survey (SDSS) Data Release 5 (DR5). Properties of the BALs, such as absorption equivalent width, outflow velocities, and depth of BAL, are obtained from analysis by Gibson et al. We perform correlation analysis on these data to test the predictions made by the radiation driven, accretion disk streamline model of Murray and Chiang. We find the CIV BAL maximum velocity and the continuum luminosity are correlated, consistent with radiation driven models. The mean minimum velocity of CIV is lower in low ionization BALs (LoBALs), than highly ionized BALs (HiBALS), suggesting an orientation effect consistent with the Murray and Chiang model. Finally, we find that HiBALs greatly outnumber LoBALs in the general BAL population, supporting prediction of the Murray and Chiang model that HiBALs have a greater global covering factor than LoBALs.

  2. A Census of Intrinsic Narrow Absorption Lines in the Spectra of Quasars at z = 2-4

    NASA Astrophysics Data System (ADS)

    Misawa, Toru; Charlton, Jane C.; Eracleous, Michael; Ganguly, Rajib; Tytler, David; Kirkman, David; Suzuki, Nao; Lubin, Dan

    2007-07-01

    We use Keck HIRES spectra of 37 optically bright quasars at z=2-4 to study narrow absorption lines that are intrinsic to the quasars (intrinsic NALs, produced in gas that is physically associated with the quasar central engine). We identify 150 NAL systems, which contain 124 C IV, 12 N V, and 50 Si IV doublets, of which 18 are associated systems (within 5000 km s-1 of the quasar redshift). We use partial coverage analysis to separate intrinsic NALs from NALs produced in cosmologically intervening structures. We find 39 candidate intrinsic systems (28 reliable determinations and 11 that are possibly intrinsic). We estimate that 10%-17% of C IV systems at blueshifts of 5000-70,000 km s-1 relative to quasars are intrinsic. At least 32% of quasars contain one or more intrinsic C IV NALs. Considering N V and Si IV doublets showing partial coverage as well, at least 50% of quasars host intrinsic NALs. This result constrains the solid angle subtended by the absorbers to the background source(s). We identify two families of intrinsic NAL systems, those with strong N V absorption and those with negligible absorption in N V but with partial coverage in the C IV doublet. We discuss the idea that these two families represent different regions or conditions in accretion disk winds. Of the 26 intrinsic C IV NAL systems, 13 have detectable low-ionization absorption lines at similar velocities, suggesting that these are two-phase structures in the wind rather than absorbers in the host galaxy. We also compare possible models for quasar outflows, including radiatively accelerated disk-driven winds, magnetocentrifugally accelerated winds, and pressure-driven winds, and we discuss ways of distinguishing between these models observationally. The data presented here were obtained at the W. M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California, and the National Aeronautics and Space Administration

  3. HST/COS SPECTRA OF DF Tau AND V4046 Sgr: FIRST DETECTION OF MOLECULAR HYDROGEN ABSORPTION AGAINST THE Ly{alpha} EMISSION LINE

    SciTech Connect

    Yang Hao; Linsky, Jeffrey L.; France, Kevin E-mail: jlinsky@jilau1.colorado.edu

    2011-03-20

    We report the first detection of molecular hydrogen (H{sub 2}) absorption in the Ly{alpha} emission line profiles of two classical T Tauri stars (CTTSs), DF Tau and V4046 Sgr, observed by the Hubble Space Telescope/Cosmic Origins Spectrograph. This absorption is the energy source for many of the Lyman-band H{sub 2} fluorescent lines commonly seen in the far-ultraviolet spectra of CTTSs. We find that the absorbed energy in the H{sub 2} pumping transitions from a portion of the Ly{alpha} line significantly differ from the amount of energy in the resulting fluorescent emission. By assuming additional absorption in the H I Ly{alpha} profile along our light of sight, we can correct the H{sub 2} absorption/emission ratios so that they are close to unity. The required H I absorption for DF Tau is at a velocity close to the radial velocity of the star, consistent with H I absorption in the edge-on disk and interstellar medium. For V4046 Sgr, a nearly face-on system, the required absorption is between +100 km s{sup -1} and +290 km s{sup -1}, most likely resulting from H I gas in the accretion columns falling onto the star.

  4. Line Coupling in Atmospheric Spectra

    NASA Technical Reports Server (NTRS)

    Tipping, R. H.

    1996-01-01

    The theoretical modeling of atmospheric spectra is important for a number of different applications: for instance, in the determination of minor atmospheric constituents such as ozone, carbon dioxide, CFC's etc.; in monitoring the temperature profile for climate studies; and in measuring the incoming and outgoing radiation to input into global climate models. In order to accomplish the above mentioned goal, one needs to know the spectral parameters characterizing the individual spectral lines (frequency, width, strength, and shape) as well as the physical parameters of the atmosphere (temperature, abundances, and pressure). When all these parameters are known, it is usually assumed that the resultant spectra and concomitant absorption coefficient can then be calculated by a superposition of individual profiles of appropriate frequency, strength and shape. However, this is not true if the lines are 'coupled'. Line coupling is a subtle effect that takes place when lines of a particular molecule overlap in frequency. In this case when the initial states and the final states of two transitions are connected by collisions, there is a quantum interference resulting in perturbed shapes. In general, this results in the narrowing of Q-branches (those in which the rotational quantum number does not change), and vibration-rotational R- and P branches (those in which the rotational quantum number changes by +/- 1), and in the spectral region beyond band heads (regions where the spectral lines pile up due to centrifugal distortion). Because these features and spectral regions are often those of interest in the determination of the abundances and pressure-temperature profiles, one must take this effect into account in atmospheric models.

  5. Line Coupling in Atmospheric Spectra

    NASA Technical Reports Server (NTRS)

    Tipping, R. H.

    1996-01-01

    The theoretical modeling of atmospheric spectra is important for a number of different applications: for instance, in the determination of minor atmospheric constituents such as ozone, carbon dioxide, CFC's etc.; in monitoring the temperature profile for climate studies; and in measuring the incoming and outgoing radiation to input into global climate models. In order to accomplish the above mentioned goal, one needs to know the spectral parameters characterizing the individual spectral lines (frequency, width, strength, and shape) as well as the physical parameters of the atmosphere (temperature, abundances, and pressure). When all these parameters are known, it is usually assumed that the resultant spectra and concomitant absorption coefficient can then be calculated by a superposition of individual profiles of appropriate frequency, strength and shape. However, this is not true if the lines are 'coupled'. Line coupling is a subtle effect that takes place when lines of a particular molecule overlap in frequency. In this case when the initial states and the final states of two transitions are connected by collisions, there is a quantum interference resulting in perturbed shapes. In general, this results in the narrowing of Q-branches (those in which the rotational quantum number does not change), and vibration-rotational R- and P branches (those in which the rotational quantum number changes by +/- 1), and in the spectral region beyond band heads (regions where the spectral lines pile up due to centrifugal distortion). Because these features and spectral regions are often those of interest in the determination of the abundances and pressure-temperature profiles, one must take this effect into account in atmospheric models.

  6. Gravitationally Redshifted Absorption Lines in the Burst Spectra of the Neutron Star in the X-Ray Binary EXO 0748-676

    NASA Technical Reports Server (NTRS)

    Cottoam, J.; Paerels, F.; Mendez, M.; White, Nicholas E. (Technical Monitor)

    2002-01-01

    The most straightforward manner of determining masses and radii of neutron stars is by measuring the gravitational redshift of spectral lines produced in the neutron star photosphere; such a measurement would provide direct constraints on the mass-to-radius ratio of the neutron star, and therefore on the equation of state for neutron star matter. Using data taken with the Reflection Grating Spectrometer on board the XMM-Newton observatory we identify, for the first time, significant absorption lines in the spectra of 28 bursts of the low-mass X-ray binary EXO 0748-676. The most significant features are consistent with the Fe XXVI and XXV n=2-3 and O VIII n=1-2 transitions, with a redshift of z=0.35, identical within small uncertainties for the different transitions. This constitutes the first direct and unambiguous measurement of the gravitational redshift in a neutron star.

  7. Filling in of Fraunhofer and gas-absorption lines in sky spectra as caused by rotational Raman scattering.

    PubMed

    Sioris, C E; Evans, W F

    1999-04-20

    A line-by-line radiative-transfer model to quantify the Ring effect as caused by rotational Raman scattering has been developed for the 310-550-nm spectral interval. The solar zenith angle and the resolution are key input parameters, as is the sky spectrum (excluding inelastic atmospheric scattering), which was modeled with MODTRAN 3.5. The filling in is modeled for ground-based viewing geometry and includes surface reflection and single inelastic scattering. It is shown that O2 contributes half of the filling in of N2. A strong inverse relationship with wavelength is noted in the filling in. A comparison with observations shows moderate agreement. The largest filling in occurs in the Ca II K and H lines.

  8. Molecular absorption in transition region spectral lines

    NASA Astrophysics Data System (ADS)

    Schmit, D. J.; Innes, D.; Ayres, T.; Peter, H.; Curdt, W.; Jaeggli, S.

    2014-09-01

    Aims: We present observations from the Interface Region Imaging Spectrograph (IRIS) of absorption features from a multitude of cool atomic and molecular lines within the profiles of Si IV transition region lines. Many of these spectral lines have not previously been detected in solar spectra. Methods: We examined spectra taken from deep exposures of plage on 12 October 2013. We observed unique absorption spectra over a magnetic element which is bright in transition region line emission and the ultraviolet continuum. We compared the absorption spectra with emission spectra that is likely related to fluorescence. Results: The absorption features require a population of sub-5000 K plasma to exist above the transition region. This peculiar stratification is an extreme deviation from the canonical structure of the chromosphere-corona boundary. The cool material is not associated with a filament or discernible coronal rain. This suggests that molecules may form in the upper solar atmosphere on small spatial scales and introduces a new complexity into our understanding of solar thermal structure. It lends credence to previous numerical studies that found evidence for elevated pockets of cool gas in the chromosphere. Movies associated to Figs. 1 and 2 are available in electronic form at http://www.aanda.org

  9. Compressed shell conditions extracted from spectroscopic analysis of Ti K-shell absorption spectra with evaluation of line self-emission

    SciTech Connect

    Johns, H. M.; Mancini, R. C.; Hakel, P.; Nagayama, T.; Smalyuk, V. A.; Regan, S. P.; Delettrez, J.

    2014-08-15

    Ti-doped tracer layers embedded in the shell at varying distances from the fuel-shell interface serve as a spectroscopic diagnostic for direct-drive experiments conducted at OMEGA. Detailed modeling of Ti K-shell absorption spectra produced in the tracer layer considers n = 1–2 transitions in F- through Li-like Ti ions in the 4400–4800 eV range, both including and excluding line self-emission. Testing the model on synthetic spectra generated from 1-D LILAC hydrodynamic simulations reveals that the model including self-emission best reproduces the simulation, while the model excluding self-emission overestimates electron temperature T{sub e} and density N{sub e} to a higher degree for layers closer to the core. The prediction of the simulation that the magnitude of T{sub e} and duration of Ti absorption will be strongly tied to the distance of the layer from the core is consistent with the idea that regions of the shell close to the core are more significantly heated by thermal transport out of the hot dense core, but more distant regions are less affected by it. The simulation predicts more time variation in the observed T{sub e}, N{sub e} conditions in the compressed shell than is observed in the experiment, analysis of which reveals conditions remain in the range T{sub e} = 400–600 eV and N{sub e} = 3.0–10.0 × 10{sup 24} cm{sup −3} for all but the most distant Ti-doped layer, with error bars ∼5% T{sub e} value and ∼10% N{sub e} on average. The T{sub e}, N{sub e} conditions of the simulation lead to a greater degree of ionization for zones close to the core than occurs experimentally, and less ionization for zones far from the core.

  10. Demonstrating Absorption Spectra Using Commercially Available Incandescent Light Bulbs

    NASA Astrophysics Data System (ADS)

    Birriel, Jennifer J.

    In introductory astronomy courses, I typically introduce the three types of spectra: continuous, absorption line, and emission line. It is standard practice to use an ordinary incandescent light bulb to demonstrate the production of a continuous spectrum, and gas discharge tubes to demonstrate the production of an emission line spectrum. The concept of an absorption spectrum is more difficult for students to grasp. A variety of commercially available light bulbs can be used to demonstrate absorption spectra. Here I discuss the use of specialty incandescent light bulbs to demonstrate the phenomenon of absorption of the continuous spectrum produced by a hot tungsten filament. The bulbs examined include the GE Reveal bulb, yellow anti-insect lights, colored party bulbs, and an incandescent "black light" bulb. The bulbs can be used in a lecture or laboratory setting.

  11. Creating semiconductor metafilms with designer absorption spectra

    PubMed Central

    Kim, Soo Jin; Fan, Pengyu; Kang, Ju-Hyung; Brongersma, Mark L.

    2015-01-01

    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 that 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. PMID:26184335

  12. APM Z >=4 QSO Survey: Spectra and Intervening Absorption Systems

    NASA Astrophysics Data System (ADS)

    Storrie-Lombardi, L. J.; McMahon, R. G.; Irwin, M. J.; Hazard, C.

    1996-09-01

    The APM multicolor survey for bright z > 4 objects, covering 2500 deg^2^ of sky to m_r_ ~ 19, resulted in the discovery of 31 quasars with z ~> 4. High signal-to-noise optical spectrophotometry at 5 A resolution has been obtained for the 28 quasars easily accessible from the northern hemisphere. These spectra have been surveyed to create new samples of high-redshift Lyman-limit systems, damped Lyα absorbers, and metal absorption systems (e.g., C IV and Mg II). In this paper we present the spectra, together with line lists of the detected absorption systems. The QSOs display a wide variety of emission- and absorption-line characteristics, with five exhibiting broad absorption lines and one with extremely strong emission lines (BR 2248 - 1242). Eleven candidate damped Lyα absorption systems have been identified covering the redshift range 2.8 <= z <= 4.4 (eight with z > 3.5). An analysis of the measured redshifts of the high-ionization emission lines with the low-ionization lines shows them to be blueshifted by 430 +/- 60 km s^-1^. In a previous paper (by Storrie-Lombardi et al.) we discussed the redshift evolution of the Lyman limit systems cataloged here. In subsequent papers we will discuss the properties of the Lyα forest absorbers and the redshift and column density evolution of the damped Lyα absorbers.

  13. Uncertainty analysis for absorption and first-derivative EPR spectra.

    PubMed

    Tseitlin, Mark; Eaton, Sandra S; Eaton, Gareth R

    2012-11-01

    Electron paramagnetic resonance (EPR) experimental techniques produce absorption or first-derivative spectra. Uncertainty analysis provides the basis for comparison of spectra obtained by different methods. In this study it was used to derive analytical equations to relate uncertainties for integrated intensity and line widths obtained from absorption or first-derivative spectra to the signal-to-noise ratio (SNR), with the assumption of white noise. Predicted uncertainties for integrated intensities and line widths are in good agreement with Monte Carlo calculations for Lorentzian and Gaussian lineshapes. Conservative low-pass filtering changes the noise spectrum, which can be modeled in the Monte Carlo simulations. When noise is close to white, the analytical equations provide useful estimates of uncertainties. For example, for a Lorentzian line with white noise, the uncertainty in the number of spins obtained from the first-derivative spectrum is 2.6 times greater than from the absorption spectrum at the same SNR. Uncertainties in line widths obtained from absorption and first-derivative spectra are similar. The impact of integration or differentiation on SNR and on uncertainties in fitting parameters was analyzed. Although integration of the first-derivative spectrum improves the apparent smoothness of the spectrum, it also changes the frequency distribution of the noise. If the lineshape of the signal is known, the integrated intensity can be determined more accurately by fitting the first-derivative spectrum than by first integrating and then fitting the absorption spectrum. Uncertainties in integrated intensities and line widths are less when the parameters are determined from the original data than from spectra that have been either integrated or differentiated.

  14. On optimization of absorption-dispersion spectra

    NASA Astrophysics Data System (ADS)

    Hawranek, J. P.; Grabska, J.; Beć, K. B.

    2016-12-01

    A modified approach to the analysis of spectra of the complex electric permittivity of liquids in the Infrared region is presented. These spectra are derived from experimental spectra of the complex refractive index. Subsequently they are used to determine important secondary quantities, e.g. spectra of complex molecular polarizabilities and an integral property - the molar vibrational polarization. The accuracy of these quantities depends essentially on the accuracy of both components of the complex electric permittivity spectrum. In the proposed procedure, the spectra of the complex electric permittivity are approximated using the Classical Damped Harmonic Oscillator (CDHO) model for the description of individual bandshapes. The CDHO model defines both the real and imaginary part of the complex permittivity. The fitting procedure includes a simultaneous optimization of both the real and imaginary parts of the complex permittivity spectrum. A comparison of absorption-only curve fitting and the novel absorption-dispersion double curve fitting is presented; advantages of the new approach in accuracy, reliability and convergence time are pointed out. Due to the complexity of the problem, the choice was restricted to non-gradient methods of optimization. The performance of several gradientless algorithms was tested. Among numerous procedures the Powell General Least Squares Method Without Derivatives was found to be the most efficient. The reliability of obtained results of the band separatiovn process was tested on several simulated spectra of increasing complexity. The applicability of the developed approach to the analysis of exemplary experimental data was evaluated and discussed.

  15. A survey of ultraviolet interstellar absorption lines

    NASA Technical Reports Server (NTRS)

    Bohlin, R. C.; Jenkins, E. B.; Spitzer, L., Jr.; York, D. G.; Hill, J. K.; Savage, B. D.; Snow, T. P., Jr.

    1983-01-01

    A telescope-spectrometer on the Copernicus spacecraft made possible the measurement of many ultraviolet absorption lines produced by the interstellar gas. The present survey provides data on ultraviolet absorption lines in the spectra of 88 early-type stars. The stars observed are divided into four classes, including reddened stars, unreddened bright stars, moderately reddened bright stars, and unreddened and moderately reddened faint stars. Data are presented for equivalent width, W, radial velocity V, and rms line width, D, taking into account some 10 to 20 lines of N I, O I, Si II, P II, S II, Cl I, Cl II, Mn II, Fe II, Ni II, Cu II, and H2. The data are based on multiple scans for each line. Attention is given to details of observations, the data reduction procedure, and the computation of equivalent width, mean velocity, and velocity dispersion.

  16. Calculated Hanle transmission and absorption spectra of the {sup 87}Rb D{sub 1} line with residual magnetic field for arbitrarily polarized light

    SciTech Connect

    Noh, Heung-Ryoul; Moon, Han Seb

    2010-09-15

    This paper reports a theoretical study on the transmission spectra of an arbitrarily polarized laser beam through a rubidium cell with or without a buffer gas in Hanle-type coherent population trapping (CPT). This study examined how laser polarization, transverse magnetic field, and collisions with buffer gas affects the spectrum. The transmission spectrum due to CPT and the absorption spectrum due to the level crossing absorption (LCA) were calculated according to the laser polarization. The results show that the LCA is strongly dependent on the transverse magnetic field and interaction time of the atoms with a laser light via collisions with the buffer gas. In addition, the spectral shape of the calculated Hanle spectrum is closely related to the direction between the (stray) transverse magnetic field and polarization of the laser.

  17. Quasistellar Objects: Intervening Absorption Lines

    NASA Astrophysics Data System (ADS)

    Charlton, J.; Churchill, C.; Murdin, P.

    2000-11-01

    Every parcel of gas along the line of sight to a distant QUASAR will selectively absorb certain wavelengths of continuum light of the quasar due to the presence of the various chemical elements in the gas. Through the analysis of these quasar absorption lines we can study the spatial distributions, motions, chemical enrichment and ionization histories of gaseous structures from REDSHIFT five unti...

  18. Nebular UV Absorption Lines in Planetary Nebulae

    NASA Astrophysics Data System (ADS)

    Dinerstein, Harriet

    We propose to continue our Cycle 1 program of studying the Lyman and Werner bands of H_2, seen in absorption against the UV continua of planetary nebula central stars, which arise within neutral-molecular envelopes surrounding the ionized gas. These are the pump lines for a fluorescent cascade of near-infrared emission lines which are observed in many planetary nebulae. By observing the UV lines we can probe the chemical and thermal structure of the envelopes, as well as measure molecular column densities and clarify the excitation processes for the infrared lines. In Cycle 1 we were granted time for three targets, one of which was successfully observed shortly before submission of this proposal. Although the data were not yet available for examination, similar target observed by the project team revealed a rich set of H_2 circumstellar absorption features, demonstrating the feasibility of our program. FUSE spectra also include absorption features from atomic species such as O I and C II, which give rise to important far-infrared fine-structure cooling lines that likewise have been observed from planetary nebulae. In Cycle 2, we add as a secondary goal a search for nebular components of the O VI 032, 1038 AA absorption lines, which trace the presence of hot shocked gas, in nebulae with anomalously strong optical recombination lines of ions of oxygen and nitrogen. This will test a plausible hypothesis for the origin of this anomaly.

  19. High Resolution Spectra of Low Redshift Damped Lyalpha Absorption Systems

    NASA Astrophysics Data System (ADS)

    Cohen, R. D.; Beaver, E. A.; Junkkarinen, V. T.; Lyons, R. W.; Smith, H. E.

    1998-05-01

    We have been able to form a fairly complete picture of the galaxy responsible for the z_a=0.395 absorption line system in PKS 1229--021 by combining Keck HIRES and LRIS spectroscopy with observations taken with the Hubble Space Telescope. The image of the absorber is consistent with the inclined disk of a moderately luminous spiral galaxy. We have not been able to detect the continuum from this galaxy spectroscopically, but our LRIS spectra show emission from [O II] lambda3727 which can be interpreted to be indicative of star formation at the rate of a few M_⊙ per year. The HIRES spectra clearly show an ``edge--leading'' absorption profile. Prochaska and Wolfe have predicted that the velocity of the center of mass of the absorbing galaxy should fall near one edge of the absorption profile if the damped Lyalpha systems are due to the rotating disks of spiral galaxies. The [O II] emission velocity is consistent with this, but there is some ambiguity due to the doublet nature of the [O II] emission. Although the absorption lines of the abundant elements are saturated in the components which correspond to the H I absorption, we have been able to measure accurate column densities for Ca II, Ti II, and Mn II for comparison with the H I column density determined from low resolution HST/FOS spectra. The abundances are compatible with approximately 0.1 of solar, with little or no dust, but they are also consistent with lines of sight toward zeta Oph through warm interstellar clouds. HIRES observations of the z_a=0.692 absorption line system in 3CR 286 will also be discussed, after the data are fully analyzed. This work is part of the Goddard High Resolution Spectrograph Guaranteed Time Observations and is supported by NASA grant NAG5--1858 and the NSF.

  20. Mars Ozone Absorption Line Shapes from Infrared Heterodyne Spectra Applied to GCM-Predicted Ozone Profiles and to MEX/SPICAM Column Retrievals

    NASA Technical Reports Server (NTRS)

    Fast, Kelly E.; Kostiuk, T.; Annen, J.; Hewagama, T.; Delgado, J.; Livengood, T. A.; Lefevre, F.

    2008-01-01

    We present the application of infrared heterodyne line shapes of ozone on Mars to those produced by radiative transfer modeling of ozone profiles predicted by general circulation models (GCM), and to contemporaneous column abundances measured by Mars Express SPICAM. Ozone is an important tracer of photochemistry Mars' atmosphere, serving as an observable with which to test predictions of photochemistry-coupled GCMs. Infrared heterodyne spectroscopy at 9.5 microns with spectral resolving power >1,000,000 is the only technique that can directly measure fully-resolved line shapes of Martian ozone features from the surface of the Earth. Measurements were made with Goddard Space Flight Center's Heterodyne instrument for Planetary Wind And Composition (HIPWAC) at the NASA Infrared Telescope Facility (IRTF) on Mauna Kea, Hawaii on February 21-24 2008 UT at Ls=35deg on or near the MEX orbital path. The HIPWAC observations were used to test GCM predictions. For example, a GCM-generated ozone profile for 60degN 112degW was scaled so that a radiative transfer calculation of its absorption line shape matched an observed HIPWAC absorption feature at the same areographic position, local time, and season. The RMS deviation of the model from the data was slightly smaller for the GCM-generated profile than for a line shape produced by a constant-with-height profile, even though the total column abundances were the same, showing potential for testing and constraining GCM ozone-profiles. The resulting ozone column abundance from matching the model to the HIPWAC line shape was 60% higher than that observed by SPICAM at the same areographic position one day earlier and 2.5 hours earlier in local time. This could be due to day-to-day, diurnal, or north polar region variability, or to measurement sensitivity to the ozone column and its distribution, and these possibilities will be explored. This work was supported by NASA's Planetary Astronomy Program.

  1. Mars Ozone Absorption Line Shapes from Infrared Heterodyne Spectra Applied to GCM-Predicted Ozone Profiles and to MEX/SPICAM Column Retrievals

    NASA Technical Reports Server (NTRS)

    Fast, Kelly E.; Kostiuk, T.; Annen, J.; Hewagama, T.; Delgado, J.; Livengood, T. A.; Lefevre, F.

    2008-01-01

    We present the application of infrared heterodyne line shapes of ozone on Mars to those produced by radiative transfer modeling of ozone profiles predicted by general circulation models (GCM), and to contemporaneous column abundances measured by Mars Express SPICAM. Ozone is an important tracer of photochemistry Mars' atmosphere, serving as an observable with which to test predictions of photochemistry-coupled GCMs. Infrared heterodyne spectroscopy at 9.5 microns with spectral resolving power >1,000,000 is the only technique that can directly measure fully-resolved line shapes of Martian ozone features from the surface of the Earth. Measurements were made with Goddard Space Flight Center's Heterodyne instrument for Planetary Wind And Composition (HIPWAC) at the NASA Infrared Telescope Facility (IRTF) on Mauna Kea, Hawaii on February 21-24 2008 UT at Ls=35deg on or near the MEX orbital path. The HIPWAC observations were used to test GCM predictions. For example, a GCM-generated ozone profile for 60degN 112degW was scaled so that a radiative transfer calculation of its absorption line shape matched an observed HIPWAC absorption feature at the same areographic position, local time, and season. The RMS deviation of the model from the data was slightly smaller for the GCM-generated profile than for a line shape produced by a constant-with-height profile, even though the total column abundances were the same, showing potential for testing and constraining GCM ozone-profiles. The resulting ozone column abundance from matching the model to the HIPWAC line shape was 60% higher than that observed by SPICAM at the same areographic position one day earlier and 2.5 hours earlier in local time. This could be due to day-to-day, diurnal, or north polar region variability, or to measurement sensitivity to the ozone column and its distribution, and these possibilities will be explored. This work was supported by NASA's Planetary Astronomy Program.

  2. Spectrophotometry of six broad absorption line QSOs

    NASA Technical Reports Server (NTRS)

    Junkkarinen, Vesa T.; Burbidge, E. Margaret; Smith, Harding E.

    1987-01-01

    Spectrophotometric observations of six broad absorption-line QSOs (BALQSOs) are presented. The continua and emission lines are compared with those in the spectra of QSOs without BALs. A statistically significant difference is found in the emission-line intensity ratio for (N V 1240-A)/(C IV 1549-A). The median value of (N V)/(C IV) for the BALQSOs is two to three times the median for QSOs without BALs. The absorption features of the BALQSOs are described, and the column densities and limits on the ionization structure of the BAL region are discussed. If the dominant ionization mechanism is photoionization, then it is likely that either the ionizing spectrum is steep or the abundances are considerably different from solar. Collisional ionization may be a significant factor, but it cannot totally dominate the ionization rate.

  3. Optical absorption spectra of ? in ? (YGG)

    NASA Astrophysics Data System (ADS)

    Binnemans, K.; Görller-Walrand, C.

    1997-02-01

    Optical absorption spectra of trivalent europium in the rare-earth garnet 0953-8984/9/7/025/img3 (YGG) have been recorded between 4600 and 0953-8984/9/7/025/img4 at 77 and at 293 K. A total of 117 crystal-field transitions has been detected in the spectra. The symmetry of the 0953-8984/9/7/025/img5 site is 0953-8984/9/7/025/img6, so a total removal of the crystal-field degeneracy of the 0953-8984/9/7/025/img7 configuration can be expected. The energy level scheme of 0953-8984/9/7/025/img5 in YGG is parametrized in terms of 20 free-ion parameters and nine crystal-field parameters. The crystal field is strong in the garnet host, so J-mixing has to be taken into account for the crystal-field calculation.

  4. Millimeter wave absorption spectra of biological samples

    SciTech Connect

    Gandhi, O.P.; Hagmann, M.J.; Hill, D.W.; Partlow, L.M.; Bush, L.

    1980-01-01

    A solid-state computer-controlled system has been used to make swept-frequency measurements of absorption of biological specimens from 26.5 to 90.0 GHz. A wide range of samples was used, including solutions of DNA and RNA, and suspensions of BHK-21/C13 cells, Candida albicans, C krusei, and Escherichia coli. Sharp spectra reported by other workers were not observed. The strong absorbance of water (10--30 dB/mm) caused the absorbance of all aqueous preparations that we examined to have a water-like dependence on frequency. Reduction of incident power (to below 1.0 microW), elimination of modulation, and control of temperature to assure cell viability were not found to significantly alter the water-dominated absorbance. Frozen samples of BHK-21/C13 cells tested at dry ice and liquid nitrogen temperatures were found to have average insertion loss reduced to 0.2 dB/cm but still showed no reproducible peaks that could be attributed to absorption spectra. It is concluded that the special resonances reported by others are likely to be in error.

  5. Equilibria and absorption spectra of tryptophanase.

    PubMed

    Metzler, C M; Viswanath, R; Metzler, D E

    1991-05-25

    Tryptophanase (tryptophan: indole-lyase) from Escherichia coli has been isolated in the holoenzyme form and its absorption spectra and acid-base chemistry have been reevaluated. Apoenzyme has been prepared by dialysis against sodium phosphate and L-alanine and molar absorptivities of the coenzyme bands have been estimated by readdition of pyridoxal 5'-phosphate. The spectrophotometric titration curve, whose midpoint is at pH 7.6 in 0.1 M potassium phosphate buffers, indicates some degree of cooperativity in dissociation of a pair of protons. Resolution of the computed spectra of individual ionic forms of the enzyme with lognormal distribution curves shows that band shapes are similar to those of model Schiff bases and of aspartate aminotransferase. Using molar areas from the latter we estimated amounts of individual tautomeric species. In addition to ketoenamine and enolimine or covalent adduct the high pH form also appears to contain approximately 18% of a species with a dipolar ionic ring (protonated on the ring nitrogen and with phenolate -O-). We suggest that this may be the catalytically active form of the coenzyme in tryptophanase. The equilibrium between tryptophanase and L-alanine has also been reevaluated.

  6. Preliminary optical design of a varied line-space spectrograph for the multi-channel detection of near-edge X-ray absorption fine structure (NEXAFS) spectra in the 280-550 eV energy range

    SciTech Connect

    Wheeler, B.S.; McKinney, W.R.; Hussain, Z.; Padmore, H.

    1996-07-01

    The optical design of a varied line-space spectrograph for the multi-channel recording of NEXAFS spectra in a single {open_quotes}snapshot{close_quotes} is proposed. The spectrograph is to be used with a bending magnet source on beamline 7.3.2 at the Advanced Light Source (ALS). Approximately 20 volts of spectra are simultaneously imaged across a small square of material sample at each respective K absorption edge of carbon, nitrogen, and oxygen. Photoelectrons emitted from the material sample will be collected by an electron imaging microscope, the view field of which determines the sampling size. The sample also forms the exit slit of the optical system. This dispersive method of NEXAFS data acquisition is three to four orders of magnitude faster than the conventional method of taking data point-to-point using scanning of the grating. The proposed design is presented along with the design method and supporting SHADOW raytrace analysis.

  7. Implications for High Energy Blazar Spectra from Intergalactic Absorption Calculations

    NASA Technical Reports Server (NTRS)

    Stecker, F

    2008-01-01

    Given a knowledge of the density spectra intergalactic low energy photons as a function of redshift, one can derive the intrinsic gamma-ray spectra and luminosities of blazars over a range of redshifts and look for possible trends in blazar evolution. Stecker, Baring & Summerlin have found some evidence hinting that TeV blazars with harder spectra have higher intrinsic TeV gamma-ray luminosities and indicating that there may be a correlation of spectral hardness and luminosity with redshift. Further work along these lines, treating recent observations of the blazers lES02291+200 and 3C279 in the TeV and sub-TeV energy ranges, has recently been explored by Stecker & Scully. GLAST will observe and investigate many blazars in the GeV energy range and will be sensitive to blazers at higher redshifts. I examine the implications high redshift gamma-ray absorption for both theoretical and observational blazer studies.

  8. Optical absorption spectra of dications of carotenoids

    SciTech Connect

    Jeevarajan, J.A.; Wei, C.C.; Jeevarajan, A.S.; Kispert, L.D.

    1996-04-04

    Quantitative optical absorption spectra of the cation radicals and the dications of canthaxanthin (I), {beta}carotene (II), 7`-cyano-7`-ethoxycarbonyl-7`-apo-{beta}-carotene (III), and 7`,7`-dimethyl-7`-apo-{beta}-carotene (IV) in dichloromethane solution are reported. Exclusive formation of dications occurs when the carotenoids are oxidized with ferric chloride. Addition of neutral carotenoid to the dications results in equilibrium formation of cation radicals. Oxidation with iodine in dichloromethane affords only cation radicals; electrochemical oxidation under suitable conditions yields both dications and cation radicals. Values of the optical parameters depend on the nature of the oxidative medium. The oscillator strengths calculated for gas phase cation radicals and dications of I-IV using the INDO/S method show the same trend as the experimental values. 31 refs., 4 figs., 2 tabs.

  9. Neural Network Solutions to Optical Absorption Spectra

    NASA Astrophysics Data System (ADS)

    Rosenbrock, Conrad

    2012-10-01

    Artificial neural networks have been effective in reducing computation time while achieving remarkable accuracy for a variety of difficult physics problems. Neural networks are trained iteratively by adjusting the size and shape of sums of non-linear functions by varying the function parameters to fit results for complex non-linear systems. For smaller structures, ab initio simulation methods can be used to determine absorption spectra under field perturbations. However, these methods are impractical for larger structures. Designing and training an artificial neural network with simulated data from time-dependent density functional theory may allow time-dependent perturbation effects to be calculated more efficiently. I investigate the design considerations and results of neural network implementations for calculating perturbation-coupled electron oscillations in small molecules.

  10. Absorption in the spectra of quasi-stellar objects and BL Lacertae objects

    NASA Technical Reports Server (NTRS)

    Perry, J. J.; Burbidge, E. M.; Burbidge, G. R.

    1978-01-01

    Observations of absorption in the spectra of 64 QSOs and two BL Lac objects are reviewed. Criteria for selecting the absorption-line objects are discussed along with line identifications, properties of identified absorption systems, the observed absence of variability in the absorption lines, the redshift distribution, line locking, and absorption shortward of the Lyman limit. The possibility of noncosmological redshifts is noted, and two interpretations of the absorption-line data are considered: (1) the 'intrinsic' hypothesis that the absorptions arise in gas associated with the QSOs and (2) the 'intervening' hypothesis that they are produced by intervening galaxies, galactic halos, or intergalactic clouds intersected by the line of sight to a QSO. Direct observational tests for the location of the absorbing hydrogen in several individual objects are described. It is concluded that no conclusive observational evidence exists which is capable of establishing whether the absorption is intrinsic or intervening.

  11. The Early Universe Probed by QSO Absorption Lines

    NASA Astrophysics Data System (ADS)

    Misawa, Toru; Iye, Masanori

    2000-12-01

    High-z QSOs are valuable probes of the early universe and provide us information on the era of galaxy formation. QSOs can also be used as background sources against intervening objects such as proto-galactic clouds and faint foreground galaxies. These intervening objects produce absorption lines in the spectra of background QSOs. Gas clouds producing metal absorption lines are thought to exist in the halos of intervening galaxies and are used to evaluate the metal abundances of galaxies at high redshifts. In the course of studying the evolution of metal absorption lines, it was found that the number of absorbers per unit redshift interval increases in the vicinity of QSOs, especially of radio-loud QSOs. The reason of such an excess of metal absorption lines remains still unclear. In this paper, the authors review the absorption properties and enigmas of quasar absorption lines.

  12. A study of ultraviolet absorption lines through the complete Galactic halo by the analysis of HST faint object spectrograph spectra of active Galactic nuclei, 1

    NASA Technical Reports Server (NTRS)

    Burks, Geoffrey S.; Bartko, Frank; Shull, J. Michael; Stocke, John T.; Sachs, Elise R.; Burbidge, E. Margaret; Cohen, Ross D.; Junkkarinen, Vesa T.; Harms, Richard J.; Massa, Derck

    1994-01-01

    The ultraviolet (1150 - 2850 A) spectra of a number of active galactic nuclei (AGNs) observed with the Hubble Space Telescope (HST) Faint Object Spectrograph (FOS) have been used to study the properties of the Galactic halo. The objects that served as probes are 3C 273, PKS 0454-220, Pg 1211+143, CSO 251, Ton 951, and PG 1351+640. The equivalent widths of certain interstellar ions have been measured, with special attention paid to the C IV/C II and Si IV/Si II ratios. These ratios have been intercompared, and the highest values are found in the direction of 3C 273, where C IV/C II = 1.2 and Si IV/Si II greater than 1. These high ratios may be due to a nearby supernova remnant, rather than to ionized gas higher up in the Galactic halo. Our data give some support to the notion that QSO metal-line systems may arise from intervening galaxies which contain high supernova rates, galactic fountains, and turbulent mixing layers.

  13. A study of ultraviolet absorption lines through the complete Galactic halo by the analysis of HST faint object spectrograph spectra of active Galactic nuclei, 1

    NASA Technical Reports Server (NTRS)

    Burks, Geoffrey S.; Bartko, Frank; Shull, J. Michael; Stocke, John T.; Sachs, Elise R.; Burbidge, E. Margaret; Cohen, Ross D.; Junkkarinen, Vesa T.; Harms, Richard J.; Massa, Derck

    1994-01-01

    The ultraviolet (1150 - 2850 A) spectra of a number of active galactic nuclei (AGNs) observed with the Hubble Space Telescope (HST) Faint Object Spectrograph (FOS) have been used to study the properties of the Galactic halo. The objects that served as probes are 3C 273, PKS 0454-220, Pg 1211+143, CSO 251, Ton 951, and PG 1351+640. The equivalent widths of certain interstellar ions have been measured, with special attention paid to the C IV/C II and Si IV/Si II ratios. These ratios have been intercompared, and the highest values are found in the direction of 3C 273, where C IV/C II = 1.2 and Si IV/Si II greater than 1. These high ratios may be due to a nearby supernova remnant, rather than to ionized gas higher up in the Galactic halo. Our data give some support to the notion that QSO metal-line systems may arise from intervening galaxies which contain high supernova rates, galactic fountains, and turbulent mixing layers.

  14. Electronic absorption spectra from first principles

    NASA Astrophysics Data System (ADS)

    Hazra, Anirban

    Methods for simulating electronic absorption spectra of molecules from first principles (i.e., without any experimental input, using quantum mechanics) are developed and compared. The electronic excitation and photoelectron spectra of ethylene are simulated, using the EOM-CCSD method for the electronic structure calculations. The different approaches for simulating spectra are broadly of two types---Frank-Condon (FC) approaches and vibronic coupling approaches. For treating the vibrational motion, the former use the Born-Oppenheimer or single surface approximation while the latter do not. Moreover, in our FC approaches the vibrational Hamiltonian is additively separable along normal mode coordinates, while in vibronic approaches a model Hamiltonian (obtained from ab initio electronic structure theory) provides an intricate coupling between both normal modes and electronic states. A method called vertical FC is proposed, where in accord with the short-time picture of molecular spectroscopy, the approximate excited-state potential energy surface that is used to calculate the electronic spectrum is taken to reproduce the ab initio potential at the ground-state equilibrium geometry. The potential energy surface along normal modes may be treated either in the harmonic approximation or using the full one-dimensional potential. Systems with highly anharmonic potential surfaces can be treated and expensive geometry optimizations are not required, unlike the traditional FC approach. The ultraviolet spectrum of ethylene between 6.2 and 8.7 eV is simulated using vertical FC. While FC approaches for simulation are computationally very efficient, they are not accurate when the underlying approximations are unreasonable. Then, vibronic coupling model Hamiltonians are necessary. Since these Hamiltonians have an analytic form, they are used to map the potential energy surfaces and understand their topology. Spectra are obtained by numerical diagonalization of the Hamiltonians. The

  15. Development of program package for investigation and modeling of carbon nanostructures in diamond like carbon films with the help of Raman scattering and infrared absorption spectra line resolving

    NASA Astrophysics Data System (ADS)

    Hayrapetyan, David B.; Hovhannisyan, Levon; Mantashyan, Paytsar A.

    2013-04-01

    The analysis of complex spectra is an actual problem for modern science. The work is devoted to the creation of a software package, which analyzes spectrum in the different formats, possesses by dynamic knowledge database and self-study mechanism, performs automated analysis of the spectra compound based on knowledge database by application of certain algorithms. In the software package as searching systems, hyper-spherical random search algorithms, gradient algorithms and genetic searching algorithms were used. The analysis of Raman and IR spectrum of diamond-like carbon (DLC) samples were performed by elaborated program. After processing the data, the program immediately displays all the calculated parameters of DLC.

  16. First theoretical global line lists of ethylene (12C2H4) spectra for the temperature range 50-700 K in the far-infrared for quantification of absorption and emission in planetary atmospheres

    NASA Astrophysics Data System (ADS)

    Rey, M.; Delahaye, T.; Nikitin, A. V.; Tyuterev, Vl. G.

    2016-10-01

    We present the construction of complete and comprehensive ethylene line lists for the temperatures 50-700 K based on accurate ab initio potential and dipole moment surfaces and extensive first-principle calculations. Three lists spanning the [0-6400] cm-1 infrared region were built at T = 80, 160, and 296 K, and two lists in the range [0-5200] cm-1 were built at 500 and 700 K. For each of these five temperatures, we considered possible convergence problems to ensure reliable opacity calculations. Our final list at 700 K was computed up to J = 71 and contains almost 60 million lines for intensities I > 5 × 10-27 cm/molecule. Comparisons with experimental spectra carried out in this study showed that for the most active infrared bands, the accuracy of band centers in our theoretical lists is better on average than 0.3 cm-1, and the integrated absorbance errors in the intervals relevant for spectral analyses are about 1-3%. These lists can be applied to simulations of absorption and emission spectra, radiative and non-LTE processes, and opacity calculations for planetary and astrophysical applications. The lists are freely accessible through the TheoReTS information system at http://theorets.univ-reims.fr and http://theorets.tsu.ru

  17. Atmospheric absorption spectra near 2200 kayser and 2400 kayser. [lower tropospheric temperature sounding

    NASA Technical Reports Server (NTRS)

    Susskind, J.; Mo, T.

    1978-01-01

    Quantitative interpretation of radiometric measurements for temperature profiling requires the ability to accurately calculate the average transmittance across the sounding channel. Therefore, an accurate calculation of atmospheric absorption due to broad banded or continuum absorption features is as significant as one of features due to individual lines. The important broad banded features affecting atmospheric absorption in the 4.3 micrometer region are due to the pressure induced N2 fundamental (called the N2 continuum) and to wings of relatively nearby very saturated CO2 lines. Attention is given to the N2 continuum, the CO2 line shape, and calculated and observed line spectra.

  18. Synthesized Spectra of Optically Thin Emission Lines

    NASA Astrophysics Data System (ADS)

    Olluri, K.; Gudiksen, B. V.; Hansteen, V. H.; De Pontieu, B.

    2015-03-01

    In recent years realistic 3D numerical models of the solar atmosphere have become available. The models attempt to recreate the solar atmosphere and mimic observations in the best way, in order to make it possible to couple complicated observations with physical properties such as the temperatures, densities, velocities, and magnetic fields. We here present a study of synthetic spectra created using the Bifrost code in order to assess how well they fit with previously taken solar data. A study of the synthetic intensity, nonthermal line widths, Doppler shifts, and correlations between any two of these three components of the spectra first assuming statistical equilibrium is made, followed by a report on some of the effects nonequilibrium ionization will have on the synthesized spectra. We find that the synthetic intensities compare well with the observations. The synthetic observations depend on the assumed resolution and point-spread function (PSF) of the instrument, and we find a large effect on the results, especially for intensity and nonthermal line width. The Doppler shifts produce the reported persistent redshifts for the transition region (TR) lines and blueshifts for the upper TR and corona lines. The nonthermal line widths reproduce the well-known turnoff point around (2-3) × 105 K, but with much lower values than those observed. The nonthermal line widths tend to increase with decreasing assumed instrumental resolution, also when nonequilibrium ionization is included. Correlations between the nonthermal line width of any two TR line studies as reported by Chae et al. are reproduced, while the correlations of intensity to line width are reproduced only after applying a PSF to the data. Doppler shift correlations reported by Doschek for the TR lines and correlations of Doppler shift to nonthermal line width of the Fe xii 19.5 line reported by Doschek et al. are reproduced.

  19. Interstellar absorption lines in the galaxy NGC 1705

    NASA Technical Reports Server (NTRS)

    York, Donald G.; Caulet, Adeline; Rybski, Paul M.; Gallagher, John S.; Blades, J. Chris

    1990-01-01

    The possibility is considered, and shown to be plausible, that the strong C IV and Si IV absorption lines in low-resolution ultraviolet spectra of gas-rich dwarf galaxies are primarily interstellar, not stellar as has been supposed. The argument is based on analogies with H II regions in the Local Group, on low-resolution equivalent width measurements of gas-rich dwarf galaxies from the literature and on high-resolution UV spectra of NGC 1705.

  20. Interstellar absorption lines in the galaxy NGC 1705

    SciTech Connect

    York, D.G.; Caulet, A.; Rybski, P.M.; Gallagher, J.S.; Blades, J.C. Lowell Observatory, Flagstaff, AZ Space Telescope Science Institute, Baltimore, MD )

    1990-03-01

    The possibility is considered, and shown to be plausible, that the strong C IV and Si IV absorption lines in low-resolution ultraviolet spectra of gas-rich dwarf galaxies are primarily interstellar, not stellar as has been supposed. The argument is based on analogies with H II regions in the Local Group, on low-resolution equivalent width measurements of gas-rich dwarf galaxies from the literature and on high-resolution UV spectra of NGC 1705. 48 refs.

  1. Broad Absorption Line Quasar catalogues with Supervised Neural Networks

    SciTech Connect

    Scaringi, Simone; Knigge, Christian; Cottis, Christopher E.; Goad, Michael R.

    2008-12-05

    We have applied a Learning Vector Quantization (LVQ) algorithm to SDSS DR5 quasar spectra in order to create a large catalogue of broad absorption line quasars (BALQSOs). We first discuss the problems with BALQSO catalogues constructed using the conventional balnicity and/or absorption indices (BI and AI), and then describe the supervised LVQ network we have trained to recognise BALQSOs. The resulting BALQSO catalogue should be substantially more robust and complete than BI-or AI-based ones.

  2. Do Atoms Really "Emit" Absorption Lines?

    ERIC Educational Resources Information Center

    Brecher, Kenneth

    1991-01-01

    Presents three absorption line sources that enhance student understanding of the phenomena associated with the interaction of light with matter and help dispel the misconception that atoms "emit" absorption lines. Sources include neodymium, food coloring and other common household liquids, and fluorescent materials. (MDH)

  3. Do Atoms Really "Emit" Absorption Lines?

    ERIC Educational Resources Information Center

    Brecher, Kenneth

    1991-01-01

    Presents three absorption line sources that enhance student understanding of the phenomena associated with the interaction of light with matter and help dispel the misconception that atoms "emit" absorption lines. Sources include neodymium, food coloring and other common household liquids, and fluorescent materials. (MDH)

  4. Absorption-Line Studies of Seyfert Galaxies

    NASA Astrophysics Data System (ADS)

    Shull, J. Michael

    We propose to undertake a "reverberation analysis" of the variable absorption lines ill two Seyfert Galaxies (NGC 4051 and Mrk 279) to help understand the origin of intrinsic absorption lines in AGNs. Stich an analysis is a powerful tool for elucidating the radial distribution of absorbing gas in the broad-line region (BLR) and narrow-line region (NLR). Only two Seyferts have previously been studied with this technique: NGC 4151 (Bromage el al. 1985; Clavel et al. 1987) and NGC 3516 (Voit, Shull, and Begelman 1987). The absorption features have been interpreted as an outflow of ionized clouds from the nuclear region or from an accretion disk affected by UV/X-ray heating. Neither the source of the absorbing gas in these Seyferts nor the "gene" which distingishes them from other Seyferts is known. Until the 1984 onset of absorption in Mrk 279, broad self-absorbed. lines had been observed only in Seyferts of low intrinsic luminosity, such as NGC 4051. Mrk 279 is intrinsically much brighter, and therefore more quasar-like, than the other three absorptionline Seyfert I's in the CfA sample. Thus, it may show how the absorption phenomenon changes at higher luminosity and could bridge the gap between the low luminosity absorption-line Seyferts and the well-studied broad absorption-line (BAL) QSO's. In addition, Mrk 279's significant redshift will allow us to study, for the first time, the Ly-alpha line in an absorption-line Seyfert. With 3 US-1 shifts for each of these two underobserved Seyferts, we can double the number of objects in which absorption-line variability has been studied and investigate why the absorption-line strengths correlate or anti-correlate with the UV continuum.

  5. Photoionization-driven Absorption-line Variability in Balmer Absorption Line Quasar LBQS 1206+1052

    NASA Astrophysics Data System (ADS)

    Sun, Luming; Zhou, Hongyan; Ji, Tuo; Jiang, Peng; Liu, Bo; Liu, Wenjuan; Pan, Xiang; Shi, Xiheng; Wang, Jianguo; Wang, Tinggui; Yang, Chenwei; Zhang, Shaohua; Miller, Lauren P.

    2017-04-01

    In this paper we present an analysis of absorption-line variability in mini-BAL quasar LBQS 1206+1052. The Sloan Digital Sky Survey spectrum demonstrates that the absorption troughs can be divided into two components of blueshift velocities of ∼700 and ∼1400 km s‑1 relative to the quasar rest frame. The former component shows rare Balmer absorption, which is an indicator of high-density absorbing gas; thus, the quasar is worth follow-up spectroscopic observations. Our follow-up optical and near-infrared spectra using MMT, YFOSC, TSpec, and DBSP reveal that the strengths of the absorption lines vary for both components, while the velocities do not change. We reproduce all of the spectral data by assuming that only the ionization state of the absorbing gas is variable and that all other physical properties are invariable. The variation of ionization is consistent with the variation of optical continuum from the V-band light curve. Additionally, we cannot interpret the data by assuming that the variability is due to a movement of the absorbing gas. Therefore, our analysis strongly indicates that the absorption-line variability in LBQS 1206+1052 is photoionization driven. As shown from photoionization simulations, the absorbing gas with blueshift velocity of ∼700 km s‑1 has a density in the range of 109 to 1010 cm‑3 and a distance of ∼1 pc, and the gas with blueshift velocity of ∼1400 km s‑1 has a density of 103 cm‑3 and a distance of ∼1 kpc.

  6. 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.

  7. [Terahertz Absorption Spectra Simulation of Glutamine Based on Quantum-Chemical Calculation].

    PubMed

    Zhang, Tian-yao; Zhang, Zhao-hui; Zhao, Xiao-yan; Zhang, Han; Yan, Fang; Qian, Ping

    2015-08-01

    With simulation of absorption spectra in THz region based on quantum-chemical calculation, the THz absorption features of target materials can be assigned with theoretical normal vibration modes. This is necessary for deeply understanding the origin of THz absorption spectra. The reliabilities of simulation results mainly depend on the initial structures and theoretical methods used throughout the calculation. In our study, we utilized THz-TDS to obtain the THz absorption spectrum of solid-state L-glutamine. Then three quantum-chemical calculation schemes with different initial structures commonly used in previous studies were proposed to study the inter-molecular interactions' contribution to the THz absorption of glutamine, containing monomer structure, dimer structure and crystal unit cell structure. After structure optimization and vibration modes' calculation based on density functional theory, the calculation results were converted to absorption spectra by Lorentzian line shape function for visual comparison with experimental spectra. The result of dimmer structure is better than monomer structure in number of absorption features while worse than crystal unit cell structure in position of absorption peaks. With the most reliable simulation result from crystal unit cell calculation, we successfully assigned all three experimental absorption peaks of glutamine ranged from 0.3 to 2.6 THz with overall vibration modes. Our study reveals that the crystal unit cell should be used as initial structure during theoretical simulation of solid-state samples' THz absorption spectrum which comprehensively considers not only the intra-molecular interactions but also inter-molecular interactions.

  8. 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.

  9. Deconvolution of CPM absorption spectra: A new technique

    NASA Astrophysics Data System (ADS)

    Jensen, Pablo

    1990-12-01

    We have found a new technique for deconvoluting absorption spectra obtained with the constant photocurrent method on hydrogenated amorphous silicon samples. We have shown that our method is simpler and more accurate than those used until now. Finally, examples of spectra deconvolution for one sample after various thermal treatments are provided.

  10. Active Galactic Nuclei Probed by QSO Absorption Lines

    NASA Astrophysics Data System (ADS)

    Misawa, Toru

    2007-07-01

    Quasars are the extremely bright nuclei found in about 10% of galaxies. A variety of absorption features (known collectively as quasar absorption lines) are detected in the rest-frame UV spectra of these objects. While absorption lines that have very broad widths originate in gas that is probably physocally related to the quasars, narrow absorption lines (NALs) were thought to arise in galaxies and/or in the intter-alacttic medium between the quasars and us. Using high-resolution spectra of quasars, it is found that a substantial fraction of NALs arise in gas in the immediate vicinity of the quasars. A dramatically variable, moderately-broad absorption line in the spectrum of the quasar HS 1603+3820l is also found. The variability of this line is monitored in a campaign with Subaru telescope. These observational results are compared to models for outflows from the quasars, specifically, models for accretion disk winds and evaporating obscuring tori. It is quite important to determine the mechanism of outflow because of its cosmological implications. The outflow could expel angular momentum from the accretion disk and enable quasars to accrete and shine. In addition, the outflow may also regulate star formation in the early stages of the assembly of the host galaxy and enrich the interstellar and intergalactic medium with metals.

  11. Helium shells and faint emission lines from slitless flash spectra

    PubMed Central

    Bazin, Cyril; Koutchmy, Serge

    2013-01-01

    At the time of the two last solar total eclipses of August 1st, 2008 in Siberia and July 11th, 2010 in French Polynesia, high frame rate CCD flash spectra were obtained. These eclipses occurred in quiet Sun period and after. The slitless flash spectra show two helium shells, in the weak Paschen α 4686 Å line of the ionized helium HeII and in the neutral helium HeI line at 4713 Å. The extensions of these helium shells are typically 3 Mm. In prominences, the extension of the interface with the corona is much more extended. The observations and analysis of these lines can properly be done only in eclipse conditions, when the intensity threshold reaches the coronal level, and the parasitic scattered light is virtually zero. Under the layers of 1 Mm above the limb, many faint low FIP lines were also seen in emission. These emission lines are superposed on the continuum containing absorption lines. The solar limb can be defined using the weak continuum appearing between the emission lines at the time of the second and third contact. The variations of the singly ionized iron line, the HeI and HeII lines and the continuum intensity are analyzed. The intensity ratio of ionized to neutral helium is studied for evaluating the ionization rate in low layers up to 2 Mm and also around a prominence. PMID:25685435

  12. Helium shells and faint emission lines from slitless flash spectra.

    PubMed

    Bazin, Cyril; Koutchmy, Serge

    2013-05-01

    At the time of the two last solar total eclipses of August 1st, 2008 in Siberia and July 11th, 2010 in French Polynesia, high frame rate CCD flash spectra were obtained. These eclipses occurred in quiet Sun period and after. The slitless flash spectra show two helium shells, in the weak Paschen α 4686 Å line of the ionized helium HeII and in the neutral helium HeI line at 4713 Å. The extensions of these helium shells are typically 3 Mm. In prominences, the extension of the interface with the corona is much more extended. The observations and analysis of these lines can properly be done only in eclipse conditions, when the intensity threshold reaches the coronal level, and the parasitic scattered light is virtually zero. Under the layers of 1 Mm above the limb, many faint low FIP lines were also seen in emission. These emission lines are superposed on the continuum containing absorption lines. The solar limb can be defined using the weak continuum appearing between the emission lines at the time of the second and third contact. The variations of the singly ionized iron line, the HeI and HeII lines and the continuum intensity are analyzed. The intensity ratio of ionized to neutral helium is studied for evaluating the ionization rate in low layers up to 2 Mm and also around a prominence.

  13. Terahertz absorption spectra and potential energy distribution of liquid crystals.

    PubMed

    Chen, Zezhang; Jiang, Yurong; Jiang, Lulu; Ma, Heng

    2016-01-15

    In this work, the terahertz (THz) absorption spectra of a set of nematic liquid crystals were studied using the density functional theories (DFT). An accurate assignment of the vibrational modes corresponding to absorption frequencies were performed using potential energy distribution (PED) in a frequency range of 0-3 THz. The impacts of different core structures on THz absorption spectra were discussed. The results indicate that scope of application must be considered in the LC-based THz device designing. This proposed work may give a useful suggestion on the design of novel liquid crystal material in THz wave.

  14. Terahertz absorption spectra and potential energy distribution of liquid crystals

    NASA Astrophysics Data System (ADS)

    Chen, Zezhang; Jiang, Yurong; Jiang, Lulu; Ma, Heng

    2016-01-01

    In this work, the terahertz (THz) absorption spectra of a set of nematic liquid crystals were studied using the density functional theories (DFT). An accurate assignment of the vibrational modes corresponding to absorption frequencies were performed using potential energy distribution (PED) in a frequency range of 0-3 THz. The impacts of different core structures on THz absorption spectra were discussed. The results indicate that scope of application must be considered in the LC-based THz device designing. This proposed work may give a useful suggestion on the design of novel liquid crystal material in THz wave.

  15. Light absorption spectra in oligothiophene molecules

    NASA Astrophysics Data System (ADS)

    Gala, Fabrizio; Zollo, Giuseppe

    2017-08-01

    First principles calculations based on density functional theory, density functional perturbation theory and many body perturbation theory are employed to explain the optical absorption peak of a newly synthesized oligo-tiophene molecule that has been considered for bulk-heterojunction solar cells. The GW approach is used to obtain quasiparticle energies as a pre-requisite to solve the Bethe-Salpeter equation for the excitonic Hamiltonian, while density functional perturbation theory, in conjunction with the Huang-Rhys method, have been employed to calculate the vibration assisted ionization spectrum.

  16. RADLite: Raytracer for infrared line spectra

    NASA Astrophysics Data System (ADS)

    Pontoppidan, Klaus; Dullemond, Kees

    2013-08-01

    RADLite is a raytracer that is optimized for producing infrared line spectra and images from axisymmetric density structures, originally developed to function on top of the dust radiative transfer code RADMC. RADLite can consistently deal with a wide range of velocity gradients, such as those typical for the inner regions of protoplanetary disks. The code is intended as a back-end for chemical and excitation codes, and can rapidly produce spectra of thousands of lines for grids of models for comparison with observations. It includes functionality for simulating telescopic images for optical/IR/midIR/farIR telescopes. It takes advantage of multi-threaded CPUs and includes an escape-probability non-LTE module.

  17. [Absorption spectra analysis in the degradation process of quinoline in aqueous solution by VUV lights].

    PubMed

    Zhu, Da-Zhang; Sun, Dong-Mei; Wang, Shi-Long; Sun, Xiao-Yu; Ni, Ya-Ming

    2009-07-01

    The feasibility of monitoring the degradation progress on line by UV-Vis absorption spectra in the degradation process of quinoline in aqueous solution using the low-pressure quartz mercury lamp as vacuum ultraviolet source was evaluated by the monitoring and protracting of the UV-Vis absorption spectra at different time. The characteristic and mechanism of the change in the UV absorption spectra were analyzed by monitoring the concentration of the substrate, COD (chemical oxygen demand), TOC (total organic carbon) and pH value of the solution. It was showed that quinoline occurs in different forms under different pH conditions and consequently causes different UV-Vis absorption spectra due to the N atom in the pyridine ring. In the degradation progress, the UV-Vis absorption spectra were impacted by the degradation rate of the substrates, the production rate of the intermediates and the pH value of the solution. Proton acids were produced as intermediates and make quinoline occur in the form of its conjugated acid. When the increase in the absorption produced by the protonation was equal to the decrease induced by the degradation, the curve of the absorption at 313 nm, the characteristic absorption peak of quinoline, showed a flat in the duration of 1-3 min and then decayed continuously. In addition, the absorption at 254 nm reached a maximum at 5 min and then decayed continuously to nearly 0 at 30 min, when the absorption of the system only occurred in the region of wavelength shorter than 220 nm, indicating that the substrate was degraded completely. The research revealed that UV absorption spectra could be used to monitor the degradation process of quinoline in aqueous solution by VUV lights.

  18. Identification of THz absorption spectra of chemicals using neural networks

    NASA Astrophysics Data System (ADS)

    Shen, Jingling; Jia, Yan; Liang, Meiyan; Chen, Sijia

    2007-09-01

    Absorption spectra in the range from 0.2 to 2.6 THz of chemicals such as illicit drugs and antibiotics obtaining from Terahertz time-domain spectroscopy technique were identified successfully by artificial neural networks. Back Propagation (BP) and Self-Organizing Feature Map (SOM) were investigated to do the identification or classification, respectively. Three-layer BP neural networks were employed to identify absorption spectra of nine illicit drugs and six antibiotics. The spectra of the chemicals were used to train a BP neural network and then the absorption spectra measured in different times were identified by the trained BP neural network. The average identification rate of 76% was achieved. SOM neural networks, another important neural network which sorts input vectors by their similarity, was used to sort 60 absorption spectra from 6 illicit drugs. The whole network was trained by setting a 20×20 and a 16×16 grid, and both of them had given satisfied clustering results. These results indicate that it is feasible to apply BP and SOM neural networks model in the field of THz spectra identification.

  19. 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.

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

    NASA Astrophysics Data System (ADS)

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

    1994-07-01

    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.

  1. Theoretical study on absorption and emission spectra of adenine analogues.

    PubMed

    Liu, Hongxia; Song, Qixia; Yang, Yan; Li, Yan; Wang, Haijun

    2014-04-01

    Fluorescent nucleoside analogues have attracted much attention in studying the structure and dynamics of nucleic acids in recent years. In the present work, we use theoretical calculations to investigate the structural and optical properties of four adenine analogues (termed as A1, A2, A3, and A4), and also consider the effects of aqueous solution and base pairing. The results show that the fluorescent adenine analogues can pair with thymine to form stable H-bonded WC base pairs. The excited geometries of both adenine analogues and WC base pairs are similar to the ground geometries. The absorption and emission maxima of adenine analogues are greatly red shifted compared with nature adenine, the oscillator strengths of A1 and A2 are stronger than A3 and A4 in both absorption and emission spectra. The calculated low-energy peaks in the absorption spectra are in good agreement with the experimental data. In general, the aqueous solution and base pairing can slightly red-shift both the absorption and emission maxima, and can increase the oscillator strengths of absorption spectra, but significantly decrease the oscillator strengths of A3 in emission spectra.

  2. Ultraviolet absorption spectra of metalorganic molecules diluted in hydrogen gas

    NASA Astrophysics Data System (ADS)

    Itoh, Hideo; Watanabe, Masanobu; Mukai, Seiji; Yajima, Hiroyoshi

    1988-12-01

    Ultraviolet absorption spectra of trimethyl gallium, triethyl gallium, and trimethyl aluminum diluted in hydrogen gas were measured as a function of the wavelength (185-350 nm) and the concentration of the molecules (4.8×10 -6 -1.6×10 -4 mol/liter). Their absorbances changed linearly with the concentration of the molecules, which allowed us to calculate the molar absorption coefficients of the molecules on the basis of the Beer-Lambert law.

  3. IR absorption spectra of cellulose obtained from ozonated wood

    NASA Astrophysics Data System (ADS)

    Mamleeva, N. A.; Autlov, S. A.; Kharlanov, A. N.; Bazarnova, N. G.; Lunin, V. V.

    2015-08-01

    The kinetic curves of ozone absorption by aspen wood were obtained. Processing of wood with peracetic acid gave cellulose samples. The yields of ozonated wood, water-soluble compounds, and cellulose were determined for the samples corresponding to different consumptions of ozone. The IR absorption spectra of wood and cellulose isolated from ozonated wood were analyzed. The supramolecular structure of cellulose can be changed by varying the conditions of wood ozonation.

  4. [Ultraviolet absorption spectra of iodine, iodide ion and triiodide ion].

    PubMed

    Wei, Yong-Ju; Liu, Cui-Ge; Mo, Li-Ping

    2005-01-01

    Ultraviolet absorption spectra of iodine I2, iodide ion I(-) and triiodide ion I3(-) were studied, and molar absorptivities of these species were determined. Absorption spectrum of I2 aqueous solution appears as an absorption peak at 203 nm with a molar absorptivity of 1.96 x 10(4) L x mol(-1) x cm(-1). Absorption spectrum of I(-) appears as two absorption peaks at 193 and 226 nm with molar absorptivities of 1.42 x 10(4) and 1.34 x 10(4) L x mol(-1) x cm(-1), respectively. When I2 aqueous solution is mixed with KI solution, two absorption peaks appear at 288 and 350 nm, respectively, indicating the formation of I3(-). Using saturation method, molar absorptivities of I3(-) at 288 and 350 nm were determined to be 3.52 x 10(4) and 2.32 x 10(4) L x mol(-1) x cm(-1), respectively.

  5. Pressure dependence of Se absorption lines in AlSb

    SciTech Connect

    Hsu, L. |; Haller, E.E.; Ramdas, A.K.

    1996-09-01

    Using far infrared absorption spectroscopy, the authors have investigated electronic transition spectra of Se donors in AlSb as a function of hydrostatic pressure. At least two distinct ground to bound excited state transition lines, which depend quadratically on the pressure, can be seen. At pressures between 30 and 50 kbar, evidence of an anti-crossing between one of the electronic transitions and a peak which they attribute to the 2 zone center LO phonon mode can be seen.

  6. 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…

  7. 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…

  8. A Method for Telluric Line Removal from Supernova and Nova Spectra

    NASA Astrophysics Data System (ADS)

    Jack, D.

    2017-04-01

    We present a new method for removing telluric lines from high resolution supernova and nova spectra. This simple and quick method has the advantage of also eliminating any interstellar and intergalactic absorption features, and it smoothens the spectra removing noise and any possible cosmic-ray hits. The method identifies narrow lines in the very broad features of supernova and nova spectra and removes all of them. We applied the method to observed high resolution (R≍20,000) spectra of the type Ia supernova SN 2014J and performed a study of the effects of telluric lines in low resolution spectra of this supernova. The differences in flux can be around 25% in some wavelength ranges with broad telluric bands. In addition, we demonstrate that this method can also be applied to high resolution spectra of novae and present as an example the telluric line removal in the spectra of Nova V5668 Sgr.

  9. [A new automated method to identify emission line star from massive spectra].

    PubMed

    Pan, Jing-Chang; Zhang, Cai-Ming; Wei, Peng; Luo, A-Li; Zhao, Yong-Heng

    2012-06-01

    Stellar spectra are characterized by obvious absorption lines or absorption bands, while those with emission lines are usually special stars such as cataclysmic variable stars (CVs), HerbigAe/Be etc. The further study of this kind of spectra is meaningful. The present paper proposed a new method to identify emission line stars (ELS) spectra automatically. After the continuum normalization is done for the original spectral flux, line detection is made by comparing the normalized flux with the mean and standard deviation of the flux in its neighbor region The results of the experiment on massive spectra from SDSS DR8 indicate that the method can identify ELS spectra completely and accurately. Since no complex transformation and computation are involved in this method, the identifying process is fast and it is ideal for the ELS detection in large sky survey projects like LAMOST and SDSS.

  10. Observationally determined Fe II oscillator strengths. [interstellar and quasar absorption spectra

    NASA Technical Reports Server (NTRS)

    Van Steenberg, M.; Shull, J. M.; Seab, C. G.

    1983-01-01

    Absorption oscillator strengths for 21 Fe II resonance lines, have been determined using a curve-of-growth analysis of interstellar data from the Copernicus and International Ultraviolet Explorer (IUE) satellites. In addition to slight changes in strengths of the far-UV lines, new f-values are reported for wavelength 1608.45, a prominent line in interstellar and quasar absorption spectra, and for wavelength 2260.08, a weak, newly identified linen in IUE interstellar spectra. An upper limit on the strength of the undetected line at 2366.867 A (UV multiplet 2) is set. Using revised oscillator strengths, Fe II column densities toward 13 OB stars are derived. The interstellar depletions, (Fe/H), relative to solar values range between factors of 10 and 120.

  11. Narrow UV Absorption Line Outflows from Quasars

    NASA Astrophysics Data System (ADS)

    Hamann, F.; Simon, L.; Rodriguez Hidalgo, P.; Capellupo, D.

    2012-08-01

    Narrow absorption line (NAL) outflows are an important yet poorly understood part of the quasar outflow phenomenon. We discuss one particular NAL outflow that has high speeds, time variability, and moderate ionizations like typical BAL flows, at an estimated location just ˜5 pc from the quasar. It also has a total column density and line widths (internal velocity dispersions) ˜100 times smaller than BALs, with no substantial X-ray absorption. We argue that radiative shielding (in the form of an X-ray/warm absorber) is not critical for the outflow acceleration and that the moderate ionizations occur in dense substructures that have an overall small volume filling factor in the flow. We also present new estimates of the overall incidence of quasar outflow lines; e.g., ˜43% of bright quasars have a C IV NAL outflow while ˜68% have a C IV outflow line of any variety (NAL, BAL, or mini-BAL).

  12. The absorption spectra of carbonates and their precursors.

    NASA Astrophysics Data System (ADS)

    Koike, C.; Chihara, H.; Suto, H.

    The carbonates calcite and dolomite have been discovered in the dust shells of evolved stars (Kemper et al. 2002) and young proto stars (Ceccarelli et al. 2002). The mechanism for carbonate formation with a aqueous or non-aqueous process were discussed in their papers. These processes have not yet been reproduced in a laboratory experiment. First of all, we measured the mass absorption spectra of varous carbonates were measured in the mid- and far-infrared region. These spectra show very strong and broad peaks in the far-infrared region. The calcite and dolomite have peaks at about 92 microns and 63 microns, respectively. The alternative process of carbonates has not yet been clear. We investigate the alternative process measuring the spectra of the precursors of carbonates. We will report the preliminary results and discuss about the alternative process comparing the measured spectra of the precursors with the observation.

  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. Spectrophotometry of the broad absorption-line QSO PHL 5200

    NASA Technical Reports Server (NTRS)

    Junkkarinen, V. T.; Burbidge, E. M.; Smith, H. E.

    1983-01-01

    Spectrophotometric observations of PHL 5200 conducted from 1974 to 1979 are presented. The semiforbidden C III 1909 and Mg II 2799 emission lines give an emission redshift of 1.981 + or - 0.002 using the peak of the profile. The semiforbidden C III 1909/C IV 1549 emission line ratio, after correction for absorption, is more than the average for normal quasars. In addition, the spectrum shows more structure between C IV 1549 emission and semiforbidden C III 1909 emission than in the case of normal quasars. The absorption profiles are investigated by using symmetrical logarithmic profiles to model the emission lines. The residual intensities at different wavelengths in the absorption troughs are employed to map optical depth as a function of velocity, assuming that the absorption region covers a small part of the sky as seen from the central source. Spectra from five observing seasons are compared, and no apparent changes in the C IV and Si IV absorption troughs are found.

  15. A SURVEY OF ALKALI LINE ABSORPTION IN EXOPLANETARY ATMOSPHERES

    SciTech Connect

    Jensen, Adam G.; Redfield, Seth; Endl, Michael; Cochran, William D.; Koesterke, Lars; Barman, Travis S. E-mail: sredfield@wesleyan.edu E-mail: wdc@astro.as.utexas.edu E-mail: barman@lowell.edu

    2011-12-20

    We obtained over 90 hr of spectroscopic observations of four exoplanetary systems with the Hobby-Eberly Telescope. Observations were taken in transit and out of transit, and we analyzed the differenced spectra-i.e., the transmission spectra-to inspect it for absorption at the wavelengths of the neutral sodium (Na I) doublet at {lambda}{lambda}5889, 5895 and neutral potassium (K I) at {lambda}7698. We used the transmission spectrum at Ca I {lambda}6122-which shows strong stellar absorption but is not an alkali metal resonance line that we expect to show significant absorption in these atmospheres-as a control line to examine our measurements for systematic errors. We use an empirical Monte Carlo method to quantify these systematic errors. In a reanalysis of the same data set using a reduction and analysis pipeline that was derived independently, we confirm the previously seen Na I absorption in HD 189733b at a level of (- 5.26 {+-} 1.69) Multiplication-Sign 10{sup -4} (the average value over a 12 A integration band to be consistent with previous authors). Additionally, we tentatively confirm the Na I absorption seen in HD 209458b (independently by multiple authors) at a level of (- 2.63 {+-} 0.81) Multiplication-Sign 10{sup -4}, though the interpretation is less clear. Furthermore, we find Na I absorption of (- 3.16 {+-} 2.06) Multiplication-Sign 10{sup -4} at <3{sigma} in HD 149026b; features apparent in the transmission spectrum are consistent with real absorption and indicate this may be a good target for future observations to confirm. No other results (Na I in HD 147506b and Ca I and K I in all four targets) are significant to {>=}3{sigma}, although we observe some features that we argue are primarily artifacts.

  16. 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.

  17. Vibrational equilibration in absorption difference spectra of chlorophyll a.

    PubMed

    Struve, W S

    1995-12-01

    We describe Franck-Condon simulations of vibrational cooling effects on absorption difference spectra in chlorophyll a (Chl a). The relative contributions of vibrational equilibration in the electronic ground and excited states depend on the pump and probe wavelengths. For Franck-Condon-active vibrational modes exhibiting small Huang-Rhys factors (S < 0.1, characteristic in Chl a pigments), vibrational thermalization causes essentially no spectral changes when the origin band is excited. Significant spectral evolution does occur for S < 0.1 when the 0-1 and 1.0 (hot) vibronic bands are excited. However, vibrational equilibration in these cases causes no spectral shifting in the empirical photobleaching/stimulated emission band maximum. This result bears on the interpretation of time-resolved absorption difference spectra of Chl a-containing antennae such as the Chl a/b light-harvesting peripheral antenna of photosystem II.

  18. EPR and electronic absorption spectra of copper bearing turquoise mineral

    NASA Astrophysics Data System (ADS)

    Sharma, K. B. N.; Moorthy, L. R.; Reddy, B. J.; Vedanand, S.

    1988-10-01

    Electron paramagnetic resonance and optical absorption spectra of turquoise have been studied both at room and low temperatures. It is concluded from the EPR spectra that the ground state of Cu 2+ ion in turquoise is 2A g(d x2- y2) and it is sited in an elongated rhombic octahedron (D 2π). The observed absorption bands at 14970 and 18354 cm -1 are assigned at 2A g→ 2B 1 g( dx2- y2→ xy) and 2A g→[ su2B 3g(d x 2-y 2→d yz) respectively assuming D 2π symmetry which are inconsistent with EPR studies. The three bands in the NIR region are attributed to combinations of fundamental modes of the H 2O molecule present in the sample.

  19. 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.

  20. A computer code to calculate line by line atmospheric transmission spectra on a microcomputer

    NASA Technical Reports Server (NTRS)

    Safren, H. G.

    1987-01-01

    A computer program is described which calculates line by line atmospheric transmission spectra on a microcomputer. Radiance calculations are not included. The program is written in FORTRAN and could be modified to run on a microcomputer other than the one on which it was implemented, except that the plotting routine would have to be replaced. The program is based on the 1978 Air Force Geophysics Laboratory LASER routine, and uses absorption line data from the 1982 update of the AFGL Atmospheric Absorption Line Parameters Compilation; segments of needed line data are taken from the tape, preprocessed into the form used by the program and stored on floppy disks. The program calculates transmission spectra over a variety of paths and spanning an arbitrarily chosen wavelength or frequency range; the path may be chosen to be horizontal, vertical or slanted at any zenith angle, and may extend between any two altitudes between 0 and 15 km. Aerosol effects are included, presently based on the 1976 Shettle and Fenn models, plus some molecular continuum effects and Rayleigh scattering.

  1. Constraining the reionization history with QSO absorption spectra

    NASA Astrophysics Data System (ADS)

    Gallerani, S.; Choudhury, T. Roy; Ferrara, A.

    2006-08-01

    We use a semi-analytical approach to simulate absorption spectra of QSOs at high redshifts with the aim of constraining the cosmic reionization history. We consider two physically motivated and detailed reionization histories: (i) an early reionization model (ERM) in which the intergalactic medium is reionized by Pop III stars at z ~ 14, and (ii) a more standard late reionization model (LRM) in which overlapping, induced by QSOs and normal galaxies, occurs at z ~ 6. From the analysis of current Lyα forest data at z < 6, we conclude that it is impossible to disentangle the two scenarios, which fit equally well the observed Gunn-Peterson optical depth, flux probability distribution function and dark gap width distribution. At z > 6, however, clear differences start to emerge which are best quantified by the dark gap and peak width distributions. We find that 35 (0) per cent of the lines of sight (LOS) within 5.7 < z < 6.3 show dark gaps of widths >50Å in the rest frame of the QSO if reionization is not (is) complete at z >~ 6. Similarly, the ERM predicts peaks of width ~1Å in 40 per cent of the LOS in the redshift range 6.0-6.6 in the same range, LRM predicts no peaks of width >0.8Å. We conclude that the dark gap and peak width statistics represent superb probes of cosmic reionization if about ten QSOs can be found at z > 6. We finally discuss strengths and limitations of our method.

  2. Absorption spectra and linear dichroism of some amphibian photoreceptors.

    PubMed

    Hárosi, F I

    1975-09-01

    Absorption spectra and linear dichroism of dark-adapted, isolated photoreceptors of mudpuppies, larval and adult tiger salamanders, and tropical toads were measured microspectrophotometrically. Spectral half-band width, dichroic ratio, and transverse specific density were determined using averaged polarized absorptance spectra and photomicrographs of seven types of rod outer segments. Two classes of cells were found, one with higher specific density and dichroic ratio, associable with the presence of rhodopsins, the other, lower in both quantities, associable with porphyropsins. Relationships were derived to calculate the product of molar concentration and extinction coefficient (CEmax) from specific density and dichroic ratio. By utilizing the hypothesis of invariance of oscillator strengths and measured half-band widths, Emax values were independently determined, permitting the calculation of C. The pigment concentration for all cells tested was about 3.5 mM. The broadness of green rod pigment spectra is correlated with reduced molar absorptivity and reduced cellular specific density. Estimation of physiological spectral sensitivities is discussed. Based on dichroic ratio considerations, a model is proposed for the orientation of retinals in situ which could account for the apparent degree of alignment of transition moments. In the chosen orientation, the ring portion of conjugation becomes primarily responsible for axial extinction. Reduced dichroism of dehydroretinal-bearing cells can thus result from the extended ring conjugation of chromophores. Some inferences derivable from the model are discussed.

  3. Modeling absorption spectra for detection of the combustion products of jet engines by laser remote sensing.

    PubMed

    Voitsekhovskaya, Olga K; Kashirskii, Danila E; Egorov, Oleg V; Shefer, Olga V

    2016-05-10

    The absorption spectra of exhaust gases (H2O, CO, CO2, NO, NO2, and SO2) and aerosol (soot and Al2O3) particles were modeled at different temperatures for the first time and suitable spectral ranges were determined for conducting laser remote sensing of the combustion products of jet engines. The calculations were conducted on the basis of experimental concentrations of the substances and the sizes of the aerosol particles. The temperature and geometric parameters of jet engine exhausts were also taken from the literature. The absorption spectra were obtained via the line-by-line method, making use of the spectral line parameters from the authors' own high-temperature databases (for NO2 and SO2 gases) and the HITEMP 2010 database, and taking into account atmospheric transmission. Finally, the theoretical absorption spectra of the exhaust gases were plotted at temperatures of 400, 700, and 1000 K, and the impact of aerosol particles on the total exhaust spectra was estimated in spectral ranges suitable for remote sensing applications.

  4. Optical absorption spectra of palladium doped gold cluster cations

    SciTech Connect

    Kaydashev, Vladimir E.; Janssens, Ewald Lievens, Peter

    2015-01-21

    Photoabsorption spectra of gas phase Au{sub n}{sup +} and Au{sub n−1}Pd{sup +} (13 ≤ n ≤ 20) clusters were measured using mass spectrometric recording of wavelength dependent Xe messenger atom photodetachment in the 1.9–3.4 eV photon energy range. Pure cationic gold clusters consisting of 15, 17, and 20 atoms have a higher integrated optical absorption cross section than the neighboring sizes. It is shown that the total optical absorption cross section increases with size and that palladium doping strongly reduces this cross section for all investigated sizes and in particular for n = 14–17 and 20. The largest reduction of optical absorption upon Pd doping is observed for n = 15.

  5. Laboratory studies at high resolution of the infrared absorption spectra of a number of gases found in planetary atmospheres

    NASA Technical Reports Server (NTRS)

    Hunt, R. H.

    1983-01-01

    The infrared absorption spectra of a number of gases found in planetary atmospheres were studied at high resolution. Absorption line measurements which can be of value for the interpretation of planetary spectra in terms of molecular abundances and conditions in the planetary atmospheres were provided. The high resolution spectra have yielded measurements of individual vibration rotation line parameters including positions, strengths, pressure broadened widths and, where assignments were unknown, the temperature sensitivity of the strengths. Such information allows the determinations of the absorption of a given molecular gas under planetary conditions of temperature and pressure and at the same time it provides the data necessary if the spectra are to be understood in terms of basic molecular theory. Thus this work has included spectral analysis in the form of line assignments as well as fitting of the data to Hamiltonian models. Such fitting is very useful in that it helps to confirm and extend the assignments.

  6. Absorption Features in Spectra of Magnetized Neutron Stars

    SciTech Connect

    Suleimanov, V.; Hambaryan, V.; Neuhaeuser, R.; Potekhin, A. Y.; Pavlov, G. G.; Adelsberg, M. van; Werner, K.

    2011-09-21

    The X-ray spectra of some magnetized isolated neutron stars (NSs) show absorption features with equivalent widths (EWs) of 50-200 eV, whose nature is not yet well known.To explain the prominent absorption features in the soft X-ray spectra of the highly magnetized (B{approx}10{sup 14} G) X-ray dim isolated NSs (XDINSs), we theoretically investigate different NS local surface models, including naked condensed iron surfaces and partially ionized hydrogen model atmospheres, with semi-infinite and thin atmospheres above the condensed surface. We also developed a code for computing light curves and integral emergent spectra of magnetized neutron stars with various temperature and magnetic field distributions over the NS surface. We compare the general properties of the computed and observed light curves and integral spectra for XDINS RBS 1223 and conclude that the observations can be explained by a thin hydrogen atmosphere above the condensed iron surface, while the presence of a strong toroidal magnetic field component on the XDINS surface is unlikely.We suggest that the harmonically spaced absorption features in the soft X-ray spectrum of the central compact object (CCO) 1E 1207.4-5209 (hereafter 1E 1207) correspond to peaks in the energy dependence of the free-free opacity in a quantizing magnetic field, known as quantum oscillations. To explore observable properties of these quantum oscillations, we calculate models of hydrogen NS atmospheres with B{approx}10{sup 10}-10{sup 11} G(i.e., electron cyclotron energy E{sub c,e}{approx}0.1-1 keV) and T{sub eff} = 1-3 MK. Such conditions are thought to be typical for 1E 1207. We show that observable features at the electron cyclotron harmonics with EWs {approx_equal}100-200 eV can arise due to these quantum oscillations.

  7. Real-time atmospheric absorption spectra for in-flight tuning of an airborne dial system

    NASA Technical Reports Server (NTRS)

    Dombrowski, M.; Walden, H.; Schwemmer, G. K.; Milrod, J.; Korb, C. L.

    1986-01-01

    Real-time measurements of atmospheric absorption spectra are displayed and used to precisely calibrate and fix the frequency of an Alexandrite laser to specific oxygen absorption features for airborne Differential Absorption Lidar (DIAL) measurements of atmospheric pressure and temperature. The DIAL system used contains two narrowband tunable Alexandrite lasers: one is electronically scanned to tune to oxygen absorption features for on-line signals while the second is used to obtain off-line (nonabsorbed) atmospheric return signals. The lidar operator may select the number of shots to be averaged, the altitude, and altitude interval over which the signals are averaged using single key stroke commands. The operator also determines exactly which oxygen absorption lines are scanned by comparing the line spacings and relative strengths with known line parameters, thus calibrating the laser wavelength readout. The system was used successfully to measure the atmospheric pressure profile on the first flights of this lidar, November 20, and December 9, 1985, aboard the NASA Wallops Electra aircraft.

  8. 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.

  9. Transient absorption spectra of the laser-dressed hydrogen atom

    NASA Astrophysics Data System (ADS)

    Murakami, Mitsuko; Chu, Shih-I.

    2013-10-01

    We present a theoretical study of transient absorption spectra of laser-dressed hydrogen atoms, based on numerical solutions of the time-dependent Schrödinger equation. The timing of absorption is controlled by the delay between an extreme ultra violet (XUV) pulse and an infrared (IR) laser field. The XUV pulse is isolated and several hundred attoseconds in duration, which acts as a pump to drive the ground-state electron to excited p states. The subsequent interaction with the IR field produces dressed states, which manifest as sidebands between the 1s-np absorption spectra separated by one IR-photon energy. We demonstrate that the population of dressed states is maximized when the timing of the XUV pulse coincides with the zero crossing of the IR field, and that their energies can be manipulated in a subcycle time scale by adding a chirp to the IR field. An alternative perspective to the problem is to think of the XUV pulse as a probe to detect the dynamical ac Stark shifts. Our results indicate that the accidental degeneracy of the hydrogen excited states is removed while they are dressed by the IR field, leading to large ac Stark shifts. Furthermore, we observe the Autler-Townes doublets for the n=2 and 3 levels using the 656 nm dressing field, but their separation does not agree with the prediction by the conventional three-level model that neglects the dynamical ac Stark shifts.

  10. Quasar Absorption Line Survey - Cycle 4 High

    NASA Astrophysics Data System (ADS)

    Bahcall, John

    1994-01-01

    The Absorption Line Survey of bright quasars provides a homogeneous data base for studying fundamental questions about the origin and evolution of gaseous systems in the universe. The initial results determine at small redshifts the number densities of Ly-ALPHA systems, of metal-lines and extragalactic halos, of Lyman-limit systems, of associated absorption systems, and the shapes and intensities of quasar emission lines and spectral energy distributions. The survey reveals that much of the sky is covered by high or very high velocity metal-line clouds present in the Galactic halo. A larger sample, which includes the requested Cycle 3 observations, is required to answer many important questions. For example, what is the correlation function of Ly-ALPHA systems at small redshifts? What fraction of the metal, the Ly-ALPHA, and the Ly-limit systems are associated with galaxies and what are the characteristic sizes of the outer gaseous regions of different types of galaxies? Do absorbing systems show evidence of the large-scale structure seen with galaxies and clusters of galaxies? The observations requested in Cycle 3 will extend the region of coverage of the Key Project sample from the redshift range of z = 0.0 to 1.0 (Cycles 1& 2) to z = 0.0 to 1.6 (Cycles 1-3). THIS FILE CONTAINS THE HIGH PRIORITY OBSERVATIONS FROM CYCLES 2 and 3 WHICH WERE NOT COMPLETED IN THOSE CYCLES.

  11. Hot Experimental Absorption Spectra of CH_4 in the Pentad and Octad Region

    NASA Astrophysics Data System (ADS)

    Hargreaves, Robert J.; Dulick, Michael; Bernath, Peter F.

    2014-06-01

    We present comprehensive line lists of CH_4 at high temperatures for the pentad and octad region (2400-5000 wn). These spectra improve on our previous emission measurements for this region by using a new quartz sample cell in conjunction with a tube furnace (pictured). Ten temperatures have been recorded from room temperature up to 1000°C and our technique involves the acquisition of four separate Fourier transform infrared spectra at each temperature, thus accounting for both the emission and absorption of the molecule and the cell. By combining these four spectra we obtain true transmission spectra of hot CH_4 in this region. Analysis of this set of spectra enables the production of a line list that includes the position, intensity and empirical lower state energy. Our spectra and line lists can be used directly to model planetary atmospheres and brown dwarfs. Hargreaves, R.J., Beale, C.A., Michaux, L., Irfan, M., & Bernath, P.F. 2012, ApJ, 757, 46

  12. Intervening Mg II absorption systems from the SDSS DR12 quasar spectra

    NASA Astrophysics Data System (ADS)

    Raghunathan, Srinivasan; Clowes, Roger G.; Campusano, Luis E.; Söchting, Ilona K.; Graham, Matthew J.; Williger, Gerard M.

    2016-12-01

    We present the catalogue of the Mg II absorption systems detected at a high significance level using an automated search algorithm in the spectra of quasars from the 12th data release of the Sloan Digital Sky Survey. A total of 266,433 background quasars were searched for the presence of absorption systems in their spectra. The continuum modelling for the quasar spectra was performed using a mean filter. A pseudo-continuum derived using a median filter was used to trace the emission lines. The absorption system catalogue contains 39,694 Mg II systems detected at a 6.0, 3.0σ level respectively for the two lines of the doublet. The catalogue was constrained to an absorption line redshift of 0.35 ≤ z2796 ≤ 2.3. The rest-frame equivalent width of the λ2796 line ranges between 0.2 ≤ Wr ≤ 6.2 Å. Using Gaussian noise-only simulations, we estimate a false positive rate of 7.7 per cent in the catalogue. We measured the number density ∂N2796/∂z of Mg II absorbers and find evidence for steeper evolution of the systems with Wr ≥ 1.2 Å at low redshifts (z2796 ≤ 1.0), consistent with other earlier studies. A suite of null tests over the redshift range 0.5 ≤ z2796 ≤ 1.5 was used to study the presence of systematics and selection effects like the dependence of the number density evolution of the absorption systems on the properties of the background quasar spectra. The null tests do not indicate the presence of any selection effects in the absorption catalogue if the quasars with spectral signal-to-noise level less than 5.0 are removed. The resultant catalogue contains 36,981 absorption systems. The Mg II absorption catalogue is publicly available and can be downloaded from the link http://srini.ph.unimelb.edu.au/mgii.php.

  13. EMPIRICAL LINE LISTS AND ABSORPTION CROSS SECTIONS FOR METHANE AT HIGH TEMPERATURES

    SciTech Connect

    Hargreaves, R. J.; Bernath, P. F.; Dulick, M.; Bailey, J.

    2015-11-01

    Hot methane is found in many “cool” sub-stellar astronomical sources including brown dwarfs and exoplanets, as well as in combustion environments on Earth. We report on the first high-resolution laboratory absorption spectra of hot methane at temperatures up to 1200 K. Our observations are compared to the latest theoretical spectral predictions and recent brown dwarf spectra. The expectation that millions of weak absorption lines combine to form a continuum, not seen at room temperature, is confirmed. Our high-resolution transmittance spectra account for both the emission and absorption of methane at elevated temperatures. From these spectra, we obtain an empirical line list and continuum that is able to account for the absorption of methane in high temperature environments at both high and low resolution. Great advances have recently been made in the theoretical prediction of hot methane, and our experimental measurements highlight the progress made and the problems that still remain.

  14. Optical Absorption Spectra of Hydrous Wadsleyite to 32 GPa

    NASA Astrophysics Data System (ADS)

    Thomas, S.; Goncharov, A. F.; Jacobsen, S. D.; Bina, C. R.; Frost, D. J.

    2009-05-01

    Optical absorption spectra of high-pressure minerals can be used as indirect tools to calculate radiative conductivity of the Earth's interior [e.g., 1]. Recent high-pressure studies show that e.g. ringwoodite, γ-(Mg,Fe)2SiO4, does not become opaque in the near infrared and visible region, as previously assumed, but remains transparent to 21.5 GPa [2]. Therefore, it has been concluded that radiative heat transfer does not necessarily become blocked at high pressures of the mantle and ferromagnesian minerals actually could contribute to the heat flow in the Earth's interior [2]. In this study we use gem-quality single-crystals of hydrous Fe-bearing wadsleyite, β-(Mg,Fe)2SiO4, that were synthesized at 18 GPa and 1400 °C in a multianvil apparatus. Crystals were analyzed by Mössbauer and Raman spectroscopy, electron microprobe analysis and single-crystal X-ray diffraction. For absorption measurements a double-polished 50 μm sized single-crystal of wadsleyite was loaded in a diamond-anvil cell with neon as pressure medium. Optical absorption spectra were recorded at ambient conditions as well as up to 32 GPa from 400 to 50000 cm-1. At ambient pressure the absorption spectrum reveals two broad bands at - 10000 cm-1 and -15000 cm-1, and an absorption edge in the visible-ultraviolet range. With increasing pressure the absorption spectrum changes, both bands continuously shift to higher frequencies as has been observed for ringwoodite [2], but is contrary to earlier presumptions for wadsleyite [3]. Here, we will discuss band assignment along with the influence of iron, compare our results to previous absorption studies of mantle materials [2], and analyze possible implications for radiative conductivity of the transition zone. References: [1] Goncharov et al. (2008), McGraw Yearbook Sci. Tech., 242-245. [2] Keppler & Smyth (2005), Am. Mineral., 90 1209-1212. [3] Ross (1997), Phys. Chem. Earth, 22 113-118.

  15. Effects of compositional variation on absorption spectra of lunar pyroxenes

    NASA Technical Reports Server (NTRS)

    Hazen, R. M.; Bell, P. M.; Mao, H. K.

    1978-01-01

    Polarized absorption spectra of lunar pyroxenes with a range of iron, calcium, magnesium, titanium and chromium contents were measured on polished, oriented single crystals; spectral data on pure synthetic FeSiO3 were also recorded. The bands at 1 and 2 microns were found to vary significantly in position with composition within the pyroxene quadrilateral; wavelengths increased with increasing calcium and iron. In the visible region, a weak band at 640 nm correlates in intensity with Cr2O3, but not with titanium as had been previously suggested. The 505-nm ferrous iron peak is a sharp doublet in most low-calcium pyroxenes but a singlet in augites. A peak at 475 nm and an intense absorption edge below 700 nm correlated with titanium content.

  16. 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.

  17. 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.

  18. Interpreting the convergence of Lyman series absorption lines

    NASA Technical Reports Server (NTRS)

    Jenkins, Edward B.

    1990-01-01

    Spectra of quasars at high z often show absorption at the Lyman limit from intervening gas systems at intermediate z having N(H) approx. greater than 10(exp 7) cm(-2). In some circumstances, N(H) can be determined by measuring the strength of the Lyman limit absorption or the damping wings of Lyman - alpha. With a spectrum taken at low wavelength resolution, say, lambda/delta lambda approx. 10(exp 3), it is usually not possible to distinguish individual Lyman series lines near the limit, yet one can still discern how rapidly the average intensity drops off as the limit is approached from the long wavelength side. The purpose here is to point out the information which is available from measurements of this series convergence.

  19. Modelling telluric line spectra in the optical and infrared with an application to VLT/X-Shooter spectra

    NASA Astrophysics Data System (ADS)

    Rudolf, N.; Günther, H. M.; Schneider, P. C.; Schmitt, J. H. M. M.

    2016-01-01

    Context. Earth's atmosphere imprints a large number of telluric absorption and emission lines on astronomical spectra, especially in the near infrared, that need to be removed before analysing the affected wavelength regions. Aims: These lines are typically removed by comparison to A- or B-type stars used as telluric standards that themselves have strong hydrogen lines, which complicates the removal of telluric lines. We have developed a method to circumvent that problem. Methods: For our IDL software package tellrem we used a recent approach to model telluric absorption features with the line-by-line radiative transfer model (LBLRTM). The broad wavelength coverage of the X-Shooter at VLT allows us to expand their technique by determining the abundances of the most important telluric molecules H2O, O2, CO2, and CH4 from sufficiently isolated line groups. For individual observations we construct a telluric absorption model for most of the spectral range that is used to remove the telluric absorption from the object spectrum. Results: We remove telluric absorption from both continuum regions and emission lines without systematic residuals for most of the processable spectral range; however, our method increases the statistical errors. The errors of the corrected spectrum typically increase by 10% for S/N ~ 10 and by a factor of two for high-quality data (S/N ~ 100), i.e. the method is accurate on the percent level. Conclusions: Modelling telluric absorption can be an alternative to the observation of standard stars for removing telluric contamination. Based on observations collected at the European Southern Observatory, Paranal, Chile, 085.C-0764(A) and 60.A-9022(C).The tellrem package is only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/585/A113

  20. Electronic absorption spectra of hydrogenated protonated naphthalene and proflavine

    NASA Astrophysics Data System (ADS)

    Bonaca, A.; Bilalbegović, G.

    2011-09-01

    We study hydrogenated cations of two polycyclic hydrocarbon molecules as models of hydrogenated organic species that form in the interstellar medium. Optical spectra of the hydrogenated naphthalene cation Hn-C10H+8 for n= 1, 2 and 10, as well as the astrobiologically interesting hydrogenated proflavine cation Hn-C13H11N+3 for n= 1 and 14, are calculated. The pseudopotential time-dependent density functional theory is used. It is found that the fully hydrogenated proflavine cation H14-C13H11N+3 shows a broad spectrum in which the positions of individual lines are almost lost. The positions, shapes and intensities of lines change in hydronaphthalene and hydroproflavine cations, showing that hydrogen additions induce substantially different optical spectra in comparison with base polycyclic hydrocarbon cations. One calculated line in the visible spectrum of H10-C10H+8 and one in the visible spectrum of H-C13H11N+3 are close to the measured diffuse interstellar bands. We also present the positions of near-ultraviolet lines.

  1. Polarization and Broad Absorption Lines in Quasars

    NASA Astrophysics Data System (ADS)

    Antonucci, Robert

    1990-12-01

    OI 287 is a unique extragalactic source. It appears to take one property from each class of object. It is either some kind of missing link, or a new type of activity. Because of the high optical polarization, OI 287 has been classified with the blazars. However, every other blazar is variable in optical flux, polarization, and polarization angle., while OI 287 is constant at V=17, P=8%, and theta=145 degrees. Also, every other blazar has a radio source dominated by an intense flat-spectrum core, while OI 287 has an upper limit of 2% of the total 20cm flux in the core. The only group of quasars which ever shows even moderate (2-5%) constant optical polarization is the broad absorption line (BAL) objects, e.g. PHL 5200 and H1413+113. Among the BAL quasars, PHL 5200 and H1413+113 have exceptionally smooth deep, attached absorption lines, and also the highest polarization. We want to know whether OI 287 is a BAL quasar. It would be the first definite radio loud example. If it is a BAL quasar then the high polarization is really related to (and perhaps the key to) the BAL phenomenon, and we can use the techniques of spectropolarimetry to help unlock the BAL geometry. The UV spectral shape would also provide help determining the cause of polarization.

  2. 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.

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

    SciTech Connect

    Lewandowski, Wojciech; Rożko, Karolina; Kijak, Jarosław; Melikidze, George I.

    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 put 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.

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

    NASA Astrophysics Data System (ADS)

    Bartnik, A.; Wachulak, P.; Fiedorowicz, H.; Fok, T.; Jarocki, R.; Szczurek, M.

    2013-11-01

    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 EUV 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.

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

    SciTech Connect

    Bartnik, A.; Wachulak, P.; Fiedorowicz, H.; Fok, T.; Jarocki, R.; Szczurek, M.

    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 EUV 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.

  6. Time-resolved Absorption Spectra of the Laser-dressed Hydrogen Atom

    NASA Astrophysics Data System (ADS)

    Murakami, Mitsuko; Chu, Shih-I.

    2013-05-01

    A theoretical study of the transient absorption spectra for the laser-dressed hydrogen atom based on the accurate numerical solution of the time-dependent Schrödinger equation is presented. The timing of absorption is controlled by the time delay between an isolated extreme ultraviolet (XUV) pulse and a dressing infrared (IR) field. We identify two different kinds of physical processes in the spectra. One is the formation of dressed states, signified by the appearance of sidebands between the XUV absorption lines separated by one IR-photon energy. We show that their population is maximized when the XUV pulse coincides with the zero-crossing of the IR field, and that their energy can be manipulated by using a chirped IR field. The other process is the dynamical AC Stark shift induced by the IR field and probed by the XUV pulse. Our calculations indicate that the accidental degeneracy of the hydrogen atom leads to the multiple splittings of each XUV absorption line whose separations change in response to a slowly-varying IR envelope. Furthermore, we observe the Autler-Townes doublets for the n=2 and 3 states using the 656 nm dressing field, but their separation does not agree with the prediction by the conventional 3-level model that neglects the dynamical AC Stark effects.

  7. Qualitative Analysis of Liquid Hydrocarbon Mixtures by Absorption Spectra of Their Vapors

    NASA Astrophysics Data System (ADS)

    Vesnin, V. L.

    2016-11-01

    Absorption spectra of saturated vapors of hydrocarbons and their mixtures were studied near their first overtones. Absorption spectra of hydrocarbons in the liquid and vapor states were compared. The ability to analyze qualitatively the compositions of liquid hydrocarbon mixtures using absorption spectra of their vapors was demonstrated. Indirect evidence suggested that the nonlinear absorption as a function of concentration that was seen in liquid hydrocarbon mixtures was negligible in their vapors.

  8. An iron absorption model of gamma-ray burst spectra

    NASA Technical Reports Server (NTRS)

    Liang, Edison P.; Kargatis, Vincent E.

    1994-01-01

    Most gamma-ray bursts (GRBs) exhibit deficits of X-rays below approximately 200 keV. Here we consider a spectral model in which the burst source is shielded by an optically thick layer of circumburster material (CBM) rich in iron-group elements whose photoelectric absorption opacity exceeds the Thomson opacity below approximately 120 keV. For power-law distributions of absorption depths along the lines of sight the absorbed spectrum can indeed mimic the typial GRB spectrum. This model predicts that (a) the spectrum should evolve monotonically from hard to soft during each energy release, which is observed in most bursts, especially in fast rise exponential decay bursts; (b) Fe spectral features near 7 keV may be present in some bursts; and (c) the ratio of burst distances to the CBM and to Earth should be approximately 10(exp -11) if the spectral evolution is purely due to Fe stripping by the photons.

  9. Thomson Thick X-Ray Absorption in a Broad Absorption Line Quasar, PG 0946+301.

    PubMed

    Mathur; Green; Arav; Brotherton; Crenshaw; deKool; Elvis; Goodrich; Hamann; Hines; Kashyap; Korista; Peterson; Shields; Shlosman; van Breugel W; Voit

    2000-04-20

    We present a deep ASCA observation of a broad absorption line quasar (BALQSO) PG 0946+301. The source was clearly detected in one of the gas imaging spectrometers, but not in any other detector. If BALQSOs have intrinsic X-ray spectra similar to normal radio-quiet quasars, our observations imply that there is Thomson thick X-ray absorption (NH greater, similar1024 cm-2) toward PG 0946+301. This is the largest column density estimated so far toward a BALQSO. The absorber must be at least partially ionized and may be responsible for attenuation in the optical and UV. If the Thomson optical depth toward BALQSOs is close to 1, as inferred here, then spectroscopy in hard X-rays with large telescopes like XMM would be feasible.

  10. Galactic Soft X-ray Emission Revealed with Spectroscopic Study of Absorption and Emission Spectra

    NASA Astrophysics Data System (ADS)

    Yamasaki, Noriko Y.; Mitsuda, K.; Takei, Y.; Hagihara, T.; Yoshino, T.; Wang, Q. D.; Yao, Y.; McCammon, D.

    2010-03-01

    Spectroscopic study of Oxygen emission/absorption lines is a new tool to investigate the nature of the soft X-ray background. We investigated the emission spectra of 14 fields obtained by Suzaku, and detected OVII and OVIII lines separately. There is an almost isotropic OVII line emission with 2 LU intensity. As the attenuation length in the Galactic plane for that energy is short, that OVII emission should arise within 300 pc of our neighborhood. In comparison with the estimated emission measure for the local bubble, the most plausible origin of this component is the solar wind charge exchange with local interstellar materials. Another component presented from the correlation between the OVII and OVIII line intensity is a thermal emission with an apparent temperature of 0.2 keV with a field-to-field fluctuation of 10% in temperature, while the intensity varies about a factor of 4. By the combination analysis of the emission and the absorption spectra, we can investigate the density and the scale length of intervening plasma separately. We analyzed the Chanrdra grating spectra of LMC X-3 and PKS 2155-304, and emission spectra toward the line of sight by Suzaku. In both cases, the combined analysis showed that the hot plasma is not iso-thermal nor uniform. Assuming an exponential disk distribution, the thickness of the disk is as large as a few kpc. It suggests that there is a thick hot disk or hot halo surrounding our Galaxy, which is similar to X-ray hot haloes around several spiral galaxies.

  11. Using high-resolution laboratory and ground-based solar spectra to assess CH4 absorption coefficient calculations

    NASA Astrophysics Data System (ADS)

    Mendonca, J.; Strong, K.; Sung, K.; Devi, V. M.; Toon, G. C.; Wunch, D.; Franklin, J. E.

    2017-03-01

    A quadratic-speed-dependent Voigt line shape (qSDV) with line mixing (qSDV+LM), together with spectroscopic line parameters from Devi et al. [1,2] for the 2v3 band of CH4, was used to retrieve total columns of CH4 from atmospheric solar absorption spectra. The qSDV line shape (Tran et al., 2013) [3] with line mixing (Lévy et al., 1992) [4] was implemented into the forward model of GFIT (the retrieval algorithm that is at the heart of the GGG software (Wunch et al., 2015) [5]) to calculate CH4 absorption coefficients. High-resolution laboratory spectra of CH4 were used to assess absorption coefficients calculated using a Voigt line shape and spectroscopic parameters from the atm line list (Toon, 2014) [6]. The same laboratory spectra were used to test absorption coefficients calculated using the qSDV+LM line shape with spectroscopic line parameters from Devi et al. [1,2] for the 2v3 band of CH4 and a Voigt line shape for lines that don't belong to the 2v3 band. The spectral line list for lines that don't belong to the 2v3 band is an amalgamation of multiple spectral line lists. We found that for the P, Q, and R branches of the 2v3 band, the qSDV+LM simulated the laboratory spectra better than the Voigt line shape. The qSDV+LM was also used in the spectral fitting of high-resolution solar absorption spectra from four ground-based remote sensing sites and compared to spectra fitted with a Voigt line shape. The average root mean square (RMS) residual for 131,124 solar absorption spectra fitted with absorption coefficients calculated using the qSDV+LM for the 2v3 band of CH4 and the new spectral line list for lines for lines that don't belong to the 2v3 band, was reduced in the P, Q, and R branches by 5%, 13%, and 3%, respectively when compared with spectra fitted using a Voigt line shape and the atm line list. We found that the average total column of CH4 retrieved from these 131,124 spectra, with the qSDV+LM was 1.1±0.3% higher than the retrievals performed using a

  12. Cyclotron Lines in Accreting Neutron Star Spectra

    NASA Astrophysics Data System (ADS)

    Wilms, Jörn; Schönherr, Gabriele; Schmid, Julia; Dauser, Thomas; Kreykenbohm, Ingo

    2009-05-01

    Cyclotron lines are formed through transitions of electrons between discrete Landau levels in the accretion columns of accreting neutron stars with strong (1012 G) magnetic fields. We summarize recent results on the formation of the spectral continuum of such systems, describe recent advances in the modeling of the lines based on a modification of the commonly used Monte Carlo approach, and discuss new results on the dependence of the measured cyclotron line energy from the luminosity of transient neutron star systems. Finally, we show that Simbol-X will be ideally suited to build and improve the observational database of accreting and strongly magnetized neutron stars.

  13. 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.

  14. Excited state absorption spectra and intersystem crossing kinetics in diazanaphthalenes

    NASA Astrophysics Data System (ADS)

    Scott, Gary W.; Talley, Larry D.; Anderson, Robert W.

    1980-05-01

    Picosecond time-resolved, excited state absorption spectra in the visible following excitation at 355 nm are discussed for room temperature solutions of four diazanaphthalenes (DN)—quinoxaline (1,4-DN), quinazoline (1,3-DN), cinnoline (1,2-DN), and phthalazine (2,3-DN). Kinetics of singlet state decay are obtained by monitoring the decay of Sn←S1 bands. The intersystem crossing rate constant (kisc) is found to vary as kisc(1,4-DN)≳kisc(1,3-DN)≳kisc(1,2-DN). The kisc in phthalazine could not be determined from the weak, visible Sn←S1 absorption. Assuming rapid singlet vibrational relaxation and only minor effects due to energy gap variations, these experimental results agree with statistical limit predictions for the relative nonradiative rate. Calculations of the spin-orbit coupling matrix element βel= , using INDO wave functions, give the ordering βel(1,4-DN)≳βel(2,3-DN)≳βel(1,3-DN) ≳βel(1,2-DN).

  15. 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.

  16. Interstellar lines in spectra of extragalactic sources. III Markarian 509, Arakelian 120, and 3C 273

    NASA Astrophysics Data System (ADS)

    York, D. G.; Ratcliff, S.; Blades, J. C.; Wu, C. C.; Cowie, L. L.; Morton, D. C.

    1984-01-01

    Spectra of two Seyfert galaxies, Mrk 509 and Akn 120, show galactic interstellar absorption lines of S II, Si II, and Fe II, while Si IV absorption is seen in the quasar 3C 273. The lines appear at LSR velocity of less than 100 km/s and probably lie within 3 kpc of the galactic disk. Extragalactic absorption lines are found in the spectrum of Mrk 509, with two redshift systems at z = 0.033 and 0.034 identified to have Ly-alpha and both members of the C IV doublet. In one of these systems, (D/H) is less than 0.0001. No metal-poor absorption systems are seen in the narrow redshift ranges sampled in each object, whereas one or two might have been expected.

  17. 40 CFR 796.1050 - Absorption in aqueous solution: Ultraviolet/visible spectra.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...: Ultraviolet/visible spectra. 796.1050 Section 796.1050 Protection of Environment ENVIRONMENTAL PROTECTION... Chemical Properties § 796.1050 Absorption in aqueous solution: Ultraviolet/visible spectra. (a... applied to measure the absorption spectra. (b) Method—(1)(i) Introduction, purpose, scope,...

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

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...: Ultraviolet/visible spectra. 796.1050 Section 796.1050 Protection of Environment ENVIRONMENTAL PROTECTION... Chemical Properties § 796.1050 Absorption in aqueous solution: Ultraviolet/visible spectra. (a... applied to measure the absorption spectra. (b) Method—(1)(i) Introduction, purpose, scope,...

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

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...: Ultraviolet/visible spectra. 796.1050 Section 796.1050 Protection of Environment ENVIRONMENTAL PROTECTION... Chemical Properties § 796.1050 Absorption in aqueous solution: Ultraviolet/visible spectra. (a... applied to measure the absorption spectra. (b) Method—(1)(i) Introduction, purpose, scope,...

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

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...: Ultraviolet/visible spectra. 796.1050 Section 796.1050 Protection of Environment ENVIRONMENTAL PROTECTION... Chemical Properties § 796.1050 Absorption in aqueous solution: Ultraviolet/visible spectra. (a... applied to measure the absorption spectra. (b) Method—(1)(i) Introduction, purpose, scope,...

  1. 40 CFR 796.1050 - Absorption in aqueous solution: Ultraviolet/visible spectra.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...: Ultraviolet/visible spectra. 796.1050 Section 796.1050 Protection of Environment ENVIRONMENTAL PROTECTION... Chemical Properties § 796.1050 Absorption in aqueous solution: Ultraviolet/visible spectra. (a... applied to measure the absorption spectra. (b) Method—(1)(i) Introduction, purpose, scope,...

  2. Determination of phosphorus using high-resolution diphosphorus molecular absorption spectra produced in the graphite furnace

    NASA Astrophysics Data System (ADS)

    Huang, Mao Dong; Becker-Ross, Helmut; Okruss, Michael; Geisler, Sebastian; Florek, Stefan

    2016-01-01

    Molecular absorption of diphosphorus was produced in a graphite furnace and evaluated in view of its suitability for phosphorus determination. Measurements were performed with two different high-resolution continuum source absorption spectrometers. The first system is a newly in-house developed simultaneous broad-range spectrograph, which was mainly used for recording overview absorption spectra of P2 between 193 nm and 245 nm. The region covers the main part of the C 1Σu+ ← X 1Σg+ electronic transition and shows a complex structure with many vibrational bands, each consisting of a multitude of sharp rotational lines. With the help of molecular data available for P2, an assignment of the vibrational bands was possible and the rotational structure could be compared with simulated spectra. The second system is a commercial sequential continuum source spectrometer, which was used for the basic analytical measurements. The P2 rotational line at 204.205 nm was selected and systematically evaluated with regard to phosphorus determination. The conditions for P2 generation were optimized and it was found that the combination of a ZrC modified graphite tube and borate as a chemical modifier were essential for a good production of P2. Serious interferences were found in the case of nitrate and sulfuric acid, although the nitrate interference can be eliminated by a higher pyrolysis temperature. The reliability of the method was proved by analysis of certified samples. Using standard tubes, a characteristic mass of 10 ng and a limit of detection of 7 ng were found. The values could further be improved by a factor of ten using a miniaturized tube with an internal diameter of 2 mm. Compared to the conventional method based on the phosphorus absorption line at 213.618 nm, the advantages of using P2 are the gentle temperature conditions and the potential of performing a simultaneous multi-line evaluation to further improve the limit of detection.

  3. 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.

  4. Modeling of multi-exciton transient absorption spectra of protochlorophyllide aggregates in aqueous solution.

    PubMed

    Sytina, Olga A; Novoderezhkin, Vladimir I; van Grondelle, Rienk; Groot, Marie Louise

    2011-11-03

    Protochlorophyllide (Pchlide) is a natural porphyrin, a precursor of chlorophyll, synthesized by plants for its photosynthetic apparatus. The pigment spontaneously forms aggregates when dissolved in neat water solution. We present here calculations of the transient absorption spectra and its comprising components (ground-state bleach, stimulated emission, and excited-state absorption) for a strongly excitonically coupled linear chain of four Pchlide chromophores, using exciton theory with phenomenological Gaussian line shapes and without energetic disorder. A refined multiexciton model that includes static disorder is applied to fit the experimental power-dependent transient absorption spectra of aqueous protochlorophyllide and the kinetics for delay times up to 20 ps after photoexcitation. We show that population up to the 4-exciton manifold is sufficient to explain the pronounced saturation of the bleaching and the shape changes in the instantaneous, t = 0.2 ps transient spectra when the pulse energy is increased from 10 to 430 nJ per pulse. The decay of the multiexciton manifold is relatively slow and is preceded by a spectroscopically distinct process. We suggest that the exciton states in the Pchlide aggregates are mixed with charge-transfer states (CTS) and that the population and repopulation of the CTS coupled to the exciton states explains the relatively slow decay of the multiexciton manifold. The relevance of our results to the optical properties and dynamics of natural photosynthetic complexes and the possible physical origin of CTS formation are discussed.

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

    NASA Astrophysics Data System (ADS)

    Chandran, Satheesh; Varma, Ravi

    2016-01-01

    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.

  6. The use of commercial glass as a potential gamma accidental dosimeter through the absorption spectra

    NASA Astrophysics Data System (ADS)

    Kharita, M. H.; Yousef, S.; Bakr, S.

    2012-05-01

    Various types of commercial glass (ordinary windows, cathode ray tubes, glass kitchenware) have been studied as potential accidental radiation dosimeters. The proposed method utilizes the changes in the glasses' absorption spectra as a result of irradiation. A 60Co gamma irradiation cell has been used to irradiate samples with doses ranging from 5 to 200 Gy. The transmittance was measured using a photospectrometer (UV-visible spectrometry). The results demonstrate that the transmittance spectra of most of the glass samples change in linear proportion to the exposure dose. Moreover, the study considers the fading effect on the absorption spectra of the irradiated samples for fading times up to 100 days at room temperature. The results of this work demonstrate that several widely used types of glass can be used as high-dose accidental dosimeters for doses ranging between 8 and 200 Gy. A reasonable calibration line can be established for any irradiated glass sample by heating, re-irradiating with standard doses and measuring the related absorption coefficient. Further investigations are needed to decrease the minimum detectable dose of the proposed method and to study the effect of glass composition on radiation response.

  7. DISCOVERY OF THE TRANSITION OF A MINI-BROAD ABSORPTION LINE INTO A BROAD ABSORPTION LINE IN THE SDSS QUASAR J115122.14+020426.3

    SciTech Connect

    Hidalgo, Paola Rodriguez; Eracleous, Michael; Charlton, Jane; Hamann, Fred; Murphy, Michael T.; Nestor, Daniel

    2013-09-20

    We present the detection of a rare case of dramatic strengthening in the UV absorption profiles in the spectrum of the quasar J115122.14+020426.3 between observations {approx}2.86 yr apart in the quasar rest frame. A spectrum obtained in 2001 by the Sloan Digital Sky Survey shows a C IV ''mini-broad'' absorption line (FWHM = 1220 km s{sup -1}) with a maximum blueshift velocity of {approx}9520 km s{sup -1}, while a later spectrum from the Very Large Telescope shows a significantly broader and stronger absorption line, with a maximum blueshift velocity of {approx}12, 240 km s{sup -1} that qualifies as a broad absorption line. A similar variability pattern is observed in two additional systems at lower blueshifted velocities and in the Ly{alpha} and N V transitions as well. One of the absorption systems appears to be resolved and shows evidence for partial covering of the quasar continuum source (C{sub f} {approx} 0.65), indicating a transverse absorber size of, at least, {approx}6 Multiplication-Sign 10{sup 16} cm. In contrast, a cluster of narrower C IV lines appears to originate in gas that fully covers the continuum and broad emission line sources. There is no evidence for changes in the centroid velocity of the absorption troughs. This case suggests that at least some of the absorbers that produce ''mini-broad'' and broad absorption lines in quasar spectra do not belong to intrinsically separate classes. Here, the ''mini-broad'' absorption line is most likely interpreted as an intermediate phase before the appearance of a broad absorption line due to their similar velocities. While the current observations do not provide enough constraints to discern among the possible causes for this variability, future monitoring of multiple transitions at high resolution will help achieve this goal.

  8. The Hubble Space Telescope Quasar Absorption Line Key Project: The Unusual Absorption-Line System in the Spectrum of PG 2302+029---Ejected or Intervening?

    NASA Astrophysics Data System (ADS)

    Jannuzi, B. T.; Hartig, G. F.; Kirhakos, S.; Sargent, W. L. W.; Turnshek, D. A.; Weymann, R. J.; Bahcall, J. N.; Bergeron, J.; Boksenberg, A.; Savage, B. D.; Schneider, D. P.; Wolfe, A. M.

    1996-10-01

    We report the discovery of a high-ionization broad absorption line system at a redshift of zabs = 0.695 in the spectrum of the zem = 1.052 radio-quiet quasar PG 2302+029. Broad absorption with FWHM from 3000 to 5000 km s-1 is detected from C IV, N V, and O VI in Hubble Space Telescope (HST) Faint Object Spectrograph spectra of the quasar. A narrow-line system (FWHM ~ 250 km s-1) at zabs = 0.7016 is resolved from the broad blend and includes absorption by Ly alpha and the C IV, N V, and O VI doublets. No absorption by low-ionization metal species (e.g., Si II and Mg II) is detected in the HST or ground-based spectra for either the broad or the narrow system. The centroids of the broad system lines are displaced by ~56,000 km s-1 to the blue of the quasar's broad emission lines. The reddest extent of the broad-line absorption is more than 50,000 km s-1 from the quasar. The properties of this system are unprecedented, whether it is an intervening or an ejected system.

  9. The Hubble Space Telescope Quasar Absorption Line Key Project: The Unusual Absorption-Line System in the Spectrum of PG 2302+029--Ejected or Intervening?

    NASA Technical Reports Server (NTRS)

    Jannuzi, B. T.; Hartig, G. F.; Kirhakos, S.; Sargent, W. L. W.; Turnshek, D. A.; Weymann, R. J.; Bahcall, J. N.; Bergeron, J.; Boksenberg, A.; Savage, B. D.; Schneider, D. P.; Wolfe, A. M.

    1996-01-01

    We report the discovery of a high-ionization broad absorption line system at a redshift of z(sub abs) = 0.695 in the spectrum of the z(sub em) = 1.052 radio-quiet quasar PG 2302+029. Broad absorption with FWHM from 3000 to 5000 km/s is detected from C iv, N v, and O vi in Hubble Space Telescope (HST) Faint Object Spectrograph spectra of the quasar. A narrow-line system (FWHM approx. 250 km/s) at z(sub abs) = 0.7016 is resolved from the broad blend and includes absorption by Ly alpha and the C iv, N v, and O vi doublets. No absorption by low-ionization metal species (e.g., Si II and Mg II) is detected in the HST or ground-based spectra for either the broad or the narrow system. The centroids of the broad system lines are displaced by approx. 56,000 km/s to the blue of the quasar's broad emission lines. The reddest extent of the broad-line absorption is more than 50,000 km/s from the quasar. The properties of this system are unprecedented, whether it is an intervening or an ejected system.

  10. Formation of cyclotron lines in gamma-ray burst spectra

    NASA Technical Reports Server (NTRS)

    Alexander, S. G.; Meszaros, P.

    1989-01-01

    A transmission model of gamma-ray burst sources is studied using the relativistic QED magnetic-resonant opacities including multiple photon scattering, incorporated into a discrete-ordinate radiative-transport scheme. The physics of the cyclotron line-producing region is discussed in general, and the expected line profiles, relative harmonic strengths, and polarizations are indicated under various conditions. The calculated spectra for these models show good agreement with the spectra reported from Ginga for GB 880205 and GB 870303.

  11. Spectra extraction for wavelength-modulation spectroscopy of intra-cavity absorption gas sensor

    NASA Astrophysics Data System (ADS)

    Han, Wennian; Wang, Yan; Liu, Kun; Jia, Dagong; Liu, Tiegen

    2010-11-01

    Low-frequency wavelength modulation is introduced to increase sensitivity of intra-cavity absorption gas sensor (ICAGS) system. ICAGS system including erbium-doped fiber amplifier (EDFA), pump laser, tunable fiber Fabry-Perot (F-P) optical filter and gas cell is set up. Using virtual instrument technique, modulation function is generated by LabVIEW software and outputted through the AO ports of data acquisition card to tune the driving voltage of optical filter. The AI ports collect the laser power signals in a synchronous mode. Harmonic spectra can be computed by adopting the method of the Discrete Fourier Transform (DFT). According to the characteristics of different order harmonic, even harmonics and odd harmonics are analyzed respectively. Here, second harmonic is used to determine the spectral intensity, and third harmonic is mainly used to locate the position of spectral lines. With optimum 10 Hz frequency modulation, acetylene absorption experiments were carried out. The pump current of EDFA is 60 mA and the acetylene concentration in the gas cell is 1%. After spectra extraction, in the 1526 nm to 1537 nm wavelength range, 17 absorption lines of acetylene were achieved. The results indicated that the error of wavelength position is less than 0.1 nm and the minimum detection limit of acetylene is about 120x10-6. It is possible to realize the recognition of measured gas type and multi-component gas detection for ICAGS system.

  12. Estimation of damped oscillation associated spectra from ultrafast transient absorption spectra.

    PubMed

    van Stokkum, Ivo H M; Jumper, Chanelle C; Snellenburg, Joris J; Scholes, Gregory D; van Grondelle, Rienk; Malý, Pavel

    2016-11-07

    When exciting a complex molecular system with a short optical pulse, all chromophores present in the system can be excited. The resulting superposition of electronically and vibrationally excited states evolves in time, which is monitored with transient absorption spectroscopy. We present a methodology to resolve simultaneously the contributions of the different electronically and vibrationally excited states from the complete data. The evolution of the excited states is described with a superposition of damped oscillations. The amplitude of a damped oscillation cos(ωnt)exp(-γnt) as a function of the detection wavelength constitutes a damped oscillation associated spectrum DOASn(λ) with an accompanying phase characteristic φn(λ). In a case study, the cryptophyte photosynthetic antenna complex PC612 which contains eight bilin chromophores was excited by a broadband optical pulse. Difference absorption spectra from 525 to 715 nm were measured until 1 ns. The population dynamics is described by four lifetimes, with interchromophore equilibration in 0.8 and 7.5 ps. We have resolved 24 DOAS with frequencies between 130 and 1649 cm(-1) and with damping rates between 0.9 and 12 ps(-1). In addition, 11 more DOAS with faster damping rates were necessary to describe the "coherent artefact." The DOAS contains both ground and excited state features. Their interpretation is aided by DOAS analysis of simulated transient absorption signals resulting from stimulated emission and ground state bleach.

  13. Estimation of damped oscillation associated spectra from ultrafast transient absorption spectra

    NASA Astrophysics Data System (ADS)

    van Stokkum, Ivo H. M.; Jumper, Chanelle C.; Snellenburg, Joris J.; Scholes, Gregory D.; van Grondelle, Rienk; Malý, Pavel

    2016-11-01

    When exciting a complex molecular system with a short optical pulse, all chromophores present in the system can be excited. The resulting superposition of electronically and vibrationally excited states evolves in time, which is monitored with transient absorption spectroscopy. We present a methodology to resolve simultaneously the contributions of the different electronically and vibrationally excited states from the complete data. The evolution of the excited states is described with a superposition of damped oscillations. The amplitude of a damped oscillation cos(ωnt)exp(-γnt) as a function of the detection wavelength constitutes a damped oscillation associated spectrum DOASn(λ) with an accompanying phase characteristic φn(λ). In a case study, the cryptophyte photosynthetic antenna complex PC612 which contains eight bilin chromophores was excited by a broadband optical pulse. Difference absorption spectra from 525 to 715 nm were measured until 1 ns. The population dynamics is described by four lifetimes, with interchromophore equilibration in 0.8 and 7.5 ps. We have resolved 24 DOAS with frequencies between 130 and 1649 cm-1 and with damping rates between 0.9 and 12 ps-1. In addition, 11 more DOAS with faster damping rates were necessary to describe the "coherent artefact." The DOAS contains both ground and excited state features. Their interpretation is aided by DOAS analysis of simulated transient absorption signals resulting from stimulated emission and ground state bleach.

  14. 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...multi-photon absorption spectra: a comparison between transmittance change and fluorescence methods 5a. CONTRACT NUMBER Award No: FA9550-12-1-0028...presents the progress we have made on the project Determination of multi-photon absorption spectra: a comparison between transmittance change and

  15. Modulated microwave absorption spectra from Josephson junctions on a scratched niobium wire

    SciTech Connect

    Rubins, R.S. |; Hutton, S.L.; Ravindran, K.; Subbaraman, K.; Drumheller, J.E.

    1997-05-01

    Modulated microwave absorption (MMA) spectra from Josephson junction formations on a scratched Nb wire have been studied at 9.3 GHz and 4 K. The peak-to-peak separation, {delta}H of the Josephson lines was found to vary linearly with P{sup 1/2}, where P is the applied microwave power, in contrast to a recent interpretation of junction formation in pressed lead pieces by Rubins, Drumheller, and Trybula. The interpretation of the MMA data on Nb are given in terms of the theory of Vichery, Beuneu, and Lejay for superconducting loops containing weak links. {copyright} {ital 1997} {ital The American Physical Society}

  16. A method for measuring magnetic fields in sunspots using Zeeman-broadened absorption lines

    NASA Astrophysics Data System (ADS)

    Oostra, Benjamin

    2017-04-01

    We present measurements of magnetic fields in several sunspots using high-resolution spectra obtained with the ESPARTACO spectrograph at the Universidad de los Andes, with the aim to explore experimental possibilities for students. Because the Zeeman line splitting is smaller than the line width, our work only observes broadened absorption lines. This broadening, however, can be measured and suitably modeled, giving realistic quantitative results.

  17. Luminosity Distribution for Broad Absorption Line QSOs

    NASA Astrophysics Data System (ADS)

    Cales, S. L.; Canalizo, G.; Lacy, M.

    2004-12-01

    The relationship of Broad Absorption Line (BAL) QSOs to the general QSO population remains uncertain. We present a preliminary set of BALQSOs from a large sample of BALQSOs identified from the SDSS Data Release 2 (DR2) Catalog in order to further study the relationship. The use of the SDSS DR2 allows us to access a much larger population of BAL and non-BAL QSOs relative to previous studies. To inspect this relationship we use spectroscopic data from SDSS to compare BALQSO luminosity distributions with those of the non-BALQSO population. Within the BALQSO population, high (Hi) and low (Lo) ionization classifications are studied in relation with their luminosity distribution. Preliminary results show the LoBALQSOs appearing less luminous than the general population and more numerous that previously suggested. Their distribution also shows a secondary peak not observed in the other types of QSOs. From this data we look at three questions; first, are BALQSOs more or less luminous than the non-BALQSO population, second, are there changes in the luminosity of these types of QSOs as a function of redshift, and lastly, how do these results clarify the relationship between BALQSOs and non-BALQSOs. A discussion of possible selection effects is also included.

  18. Broad Absorption Line Quasars Observed by the ROSAT PSPC

    NASA Technical Reports Server (NTRS)

    Green, Paul J.; Mathur, Smita

    1997-01-01

    Recent results from the ROSAT All-Sky Survey have shown that Broad Absorption Line (BAL) QSOs are either highly absorbed or underluminous in the soft X-ray bandpass. Here we extend this work by analyzing all known bona fide BAL QSOs observed within the inner 20 min of the ROSAT Position Sensitive Proportional Counter. This sample includes both targeted and serendipitous exposures ranging from 8 to 75 ks. Despite these deep exposures, most of the BAL QSOs are undetected and have unusually weak X-ray emission, as evidenced by large optical-to-X-ray slopes alpha(sub ox). Large values of alpha(sub ox)(approx. greater than 1.8) may prove to be a defining characteristic of BAL QSOs. We predict that samples of QSO candidates with large alpha(sub ox) will yield a higher percentage of BAL QSOs, particularly at low redshift. As a corollary, X-ray selected QSO samples should yield fewer BAL QSOs. The optical/UV emission line spectra of BAL and non-BAL QSOs are quite similar, suggesting that their intrinsic spectral energy distributions are similar as well. Absorption thus seems the likely reason for the X-ray-quiet nature of BAL QSOs. To constrain the total absorbing column of the BAL clouds, we compare our measured soft X-ray fluxes or upper limits with those expected from normal radio-quiet QSOs of comparable optical continuum magnitude and redshift. From sensitive X-ray observations, we derive column densities of approx. less than 2 x 10(exp 22)/sq cm for intrinsic cold absorbers of solar metallicity. These new results suggest columns at least an order of magnitude larger than the columns previously estimated from optical/UV spectra alone.

  19. 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.

  20. Recent Observations of Intrinsic UV Absorption Lines in Seyfert Galaxies with STIS

    NASA Astrophysics Data System (ADS)

    Crenshaw, D. M.; Kraemer, S. B.; Ruiz, J. R.

    2000-05-01

    We present recent observations of the intrinsic UV absorption lines in several Seyfert 1 galaxies with the Space Telescope Imaging Spectrograph (STIS) on the Hubble Space Telescope (HST). Echelle observations of NGC 4151 on 1999 June 19 indicate that the continuum and broad emission lines were at a low state at this time. Consequently, strong low-ionization absorption lines appear in the spectra, including numerous metastable Fe II lines. A feature in the blue wing of the C IV emission line, identified as a transient C IV absorption line at high outflow velocity by Weymann et al., turns out to be a fine-structure Si II line. Our current work focuses on determining the physical conditions in different kinematic components of the absorption using detailed photoionization models. Our STIS echelle observations of NGC 3783 on 2000 February 27 reveal that a new component of C IV and N V absorption has appeared since the last GHRS observation 5 years earlier, at a radial velocity of -800 km/sec relative to the systemic velocity. In addition, the component at -1400 km/sec has become much stronger and is present in Si IV, indicating a lower ionization state compared to the other components. We have also obtained low-resolution UV spectra of the Seyfert 1 galaxy NGC 3227, which is characterized by significant reddening of the continuum and emission lines. In addition to saturated absorption from high-ionization lines, we detect strong absorption in the Si IV and Mg II lines. This confirms our prediction that a lukewarm absorber that occults much of the narrow-line region is responsible for the reddening (Kraemer et al. 2000), rather than a large neutral column or a dusty X-ray absorber.

  1. The structure of the absorption spectra of the quasars Q 0420-388 and Q 1101-264

    NASA Astrophysics Data System (ADS)

    Chernomordik, V. V.

    1988-08-01

    The spectra of the quasars Q 0420-388 and Q 1101-264 are studied in the framework of the shock-wave model of the Lyman-alpha forest in the spectra of distant quasars, in which the origin of Lyman-alpha absorption lines is related to absorption zones in the shells of metagalactic shock waves. It is shown that more that 50 percent of the narrow Lyman-alpha abosrption lines are components of doublets, or pairs of nearby lines with the same equivalent widths. This is in good agreement with the predictions of the shock-wave model. The expected H I column density distribution of the Lyman-alpha lines is calculated and is found to be in agreement with the findings of Atwood et al. (1985).

  2. Vibrational circular dichroism and IR absorption spectra of amino acids: a density functional study.

    PubMed

    Ji, Zhi; Santamaria, Rubén; Garzón, Ignacio L

    2010-03-18

    With density functional theory, vibrational circular dichroism (VCD) and infrared absorption (IR) spectra are obtained at the B3LYP/CC-pVTZ level of theory for 20 alpha-amino acids. The contribution of different vibration modes to the IR and VCD spectra is analyzed. Overall agreement between calculated results for amino acids in gas phase with the available experimental VCD data for matrix-assisted amino acid films is found. The analysis of the calculated IR and VCD spectra indicates that the functional groups in the backbones and side chains of amino acids contribute differently to the spectra line shape. It is obtained that molecular torsions are the characteristic vibrations of the amino acids at the low-frequency regime, whereas the bending of bond angles, the out-of-plane wagging of individual atoms, and some stretching modes dominate the intermediate frequency range. Specific modes like NH(2) scissoring, CO bond stretching, and the (symmetric and asymmetric) stretching of the hydrogen atoms in the NH(2) and OH groups characterize the high-frequency regime. A general trend emerging from these calculations indicates that the rho(OH) rocking and nu(C=O) stretching modes have the highest intensity in the VCD spectra of most amino acids.

  3. Discovery of Variable Hydrogen Balmer Absorption Lines with Inverse Decrement in PG 1411+442

    NASA Astrophysics Data System (ADS)

    Shi, Xi-Heng; Pan, Xiang; Zhang, Shao-Hua; Sun, Lu-Ming; Wang, Jian-Guo; Ji, Tuo; Yang, Chen-Wei; Liu, Bo; Jiang, Ning; Zhou, Hong-Yan

    2017-07-01

    We present new optical spectra of the well-known broad absorption line (BAL) quasar PG 1411+442, using the DBSP spectrograph at the Palomar 200 inch telescope in 2014 and 2017 and the YFOSC spectrograph at the Lijiang 2.4 m telescope in 2015. A blueshifted narrow absorption line system is clearly revealed in 2014 and 2015 consisting of hydrogen Balmer series and metastable He i lines. The velocity of these lines is similar to the centroid velocity of the UV BALs, suggesting that both originate from the outflow. The Balmer lines vary significantly between the two observations and vanished in 2017. They were also absent in the archived spectra obtained before 2001. The variation is thought to be driven by photoionization change. Besides, the absorption lines show inversed Balmer decrement, i.e., the apparent optical depths of higher-order Balmer absorption lines are larger than those of lower-order lines, which is inconsistent with the oscillator strengths of the transitions. We suggest that such anomalous line ratios can be naturally explained by the thermal structure of a background accretion disk, which allows the obscured part of the disk to contribute differently to the continuum flux at different wavelengths. High-resolution spectroscopic and photometric monitoring would be very useful to probe the structure of the accretion disk as well as the geometry and physical conditions of the outflow.

  4. The effect of ionization on the infrared absorption spectra of PAHs: A preliminary report

    NASA Technical Reports Server (NTRS)

    Defrees, Doug J.; Miller, M. D.

    1989-01-01

    The emission lines observed in many interstellar IR sources at 3.28, 6.2, 7.7, 8.7, and 11.3 microns are theorized to originate from polycyclic aromatic hydrocarbons (PAHs). These assignments are based on analyses of lab IR spectra of neutral PAHs. However, it is likely that in the interstellar medium that PAHs are ionized, i.e., are positively charged. Besides, as pointed out by Allamandola et al., although the IR emission band spectrum resembles what one might expect from a mixture of PAHs, it does not match in details such as frequency, band profile, or relative intensities predicted from the absorption spectra of any known PAH molecule. One source of more information to test the PAH theory is ab initio molecular orbital theory. It can be used to compute, from first principles, the geometries, vibrational frequencies, and vibrational intensities for model PAH compounds which are difficult to study in the lab. The Gaussian 86 computer program was used to determine the effect of ionization on the infrared absorption spectra of several small PAHs: naphthalene and anthracene. A preliminary report is presented of the results of these calculations.

  5. Absorption of infrared radiation by carbon monoxide at elevated temperatures and pressures: Part A. Advancing the line-by-line procedure based on HITEMP-2010

    NASA Astrophysics Data System (ADS)

    Alberti, Michael; Weber, Roman; Mancini, Marco

    2017-10-01

    A line-by-line procedure has been developed for calculating the effective band width (band absorptance) of both the fundamental and the first overtone bands of carbon monoxide. The procedure is based on HITEMP-2010 data base and each absorption line has been truncated to remedy the sub-Lorentzian behavior in the line wings. The truncation criterion has been given in the paper. The line-by-line procedure has been used to reproduce all available (published) measured CO-absorption spectra. The calculated effective band width for the fundamental band is within 10% of the measured values while that for the 1st overtone is within 5% margin for CO pressures as large as 70-80 bar and temperatures not larger than 600 K. For temperatures larger than 600 K and approaching 2700 K, the line-by-line procedure provides the effective band widths that can be as much as 30% lower than those calculated using the measured spectra. The higher the temperature the larger is the difference between the measured and calculated spectra. Scrutiny of the high-temperature CO absorption spectra has indicated inconsistency of the measured data and their inaccuracy in particular at larger wavenumbers. Thus, it is plausible that the accuracy of the line-by-line procedure is better than 30%. For a precise determination of the accuracy, the CO absorption measurements should be repeated using modern spectroscopy.

  6. Influence of self-absorption on plasma diagnostics by emission spectral lines.

    PubMed

    Gudimenko, Evgueni; Milosavljević, Vladimir; Daniels, Stephen

    2012-06-04

    Accurate optical emission spectroscopy (OES) measurements are necessary for plasma semiconductor processing and for optical emission analysis. In this paper we investigate the effects of self-absorption on the most important neutral Argon spectra lines. One of these Argon spectral lines (750 nm) is frequently used for actinometry. The experiment is performed in a reactive ion etch (RIE) capacitively coupled plasma (CCP) system. A comprehensive design of experiments has been created to establish all plasma conditions, power, pressure and gas flow rate which affect the Argon emission intensity by self-absorption. The results are then compared to theoretical calculated line ratios.

  7. Archival research on absorption lines in violently star-forming galaxies

    NASA Technical Reports Server (NTRS)

    Gallagher, J. S.

    1989-01-01

    A computerized analysis of a starburst model is discussed. The model proposes that the absorption line equivalent width should scale with the level of star forming activity. Archival International Ultraviolet Explorer (IUE) data on IUE spectra of luminous blue galaxies were compared with previous IUE observations of extragalactic HII regions and low luminosity galaxies. The comparisons are summarized and causes for offsets are discussed.

  8. Archival research on absorption lines in violently star-forming galaxies

    NASA Astrophysics Data System (ADS)

    Gallagher, J. S.

    1989-09-01

    A computerized analysis of a starburst model is discussed. The model proposes that the absorption line equivalent width should scale with the level of star forming activity. Archival International Ultraviolet Explorer (IUE) data on IUE spectra of luminous blue galaxies were compared with previous IUE observations of extragalactic HII regions and low luminosity galaxies. The comparisons are summarized and causes for offsets are discussed.

  9. The Hubble Space Telescope quasar absorption line key project. III - First observational results on Milky Way gas

    NASA Technical Reports Server (NTRS)

    Savage, Blair D.; Lu, Limin; Bahcall, John N.; Bergeron, Jacqueline; Boksenberg, Alec; Hartig, George F.; Jannuzi, Buell T.; Kirhakos, Sofia; Lockman, Felix J.; Sargent, W. L. W.

    1993-01-01

    Absorption lines found near zero redshift due to Milky Way disk and halo gas in the spectra of 15 quasars observed with the Faint Object Spectrograph (FOS) of the HST at a resolution of about 230 km/s are reported. Results show that Milky Way absorption lines comprise about 44 percent of all absorption lines seen in the first group of Key Project FOS spectra. Milky Way lines were observed for 3C 273 and H1821 + 643. Limits to the Mg-to-H abundance ratio obtained for very high velocity Mg II absorption detections imply gas-phase Mg abundances for the very high velocity gas ranging from more than 0.059 to more than 0.32 times the solar abundance. In all cases where high-velocity H I emission is seen, corresponding high-velocity metal-line absorption is observed.

  10. Ultraviolet interstellar absorption lines from low-z galaxies

    NASA Astrophysics Data System (ADS)

    Sahu, M. S.

    1997-05-01

    The importance of studying absorption lines from z<<0.1 galaxies are discussed. The Mg II λλ2796 and 2803 Å doublet absorption is sensitive to low column density gas and has been used to search for absorption lines from low-z galaxies. Recent studies of abundances and depletion patterns toward the Small Magellanic Cloud (Welty et al. 1997) and the NGC 1705 sightline (Sahu & Blades, 1997) are reviewed.

  11. The hydrogen line spectra of narrow-line radio galaxies

    NASA Astrophysics Data System (ADS)

    Ferland, G. J.; Osterbrock, D. E.

    1985-02-01

    The results of the first detection of Ly-alpha in a narrow-line radio galaxy are reported. Nearly simultaneous optical and UV observations of 3C 192 and 3C 223 allow the measurement of both Balmer and Lyman decrements. These line ratios are approximate functions of the interstellar reddening and of a parameter which is proportional to the amount of H I collisional excitation present. The reddening of 3C 192 is slightly larger than that due to the Galaxy, although 3C 223 may have a larger value. Both galaxies have intrinsic Balmer and Lyman decrements which are significantly steeper than case B, suggesting that the gas is photoionized by a fairly hard X-ray continuum. The deduced values of L-alpha/H-beta and H-alpha/H-beta compare favorably with predictions of recent models.

  12. The hydrogen line spectra of narrow-line radio galaxies

    NASA Technical Reports Server (NTRS)

    Ferland, G. J.; Osterbrock, D. E.

    1985-01-01

    The results of the first detection of Ly-alpha in a narrow-line radio galaxy are reported. Nearly simultaneous optical and UV observations of 3C 192 and 3C 223 allow the measurement of both Balmer and Lyman decrements. These line ratios are approximate functions of the interstellar reddening and of a parameter which is proportional to the amount of H I collisional excitation present. The reddening of 3C 192 is slightly larger than that due to the Galaxy, although 3C 223 may have a larger value. Both galaxies have intrinsic Balmer and Lyman decrements which are significantly steeper than case B, suggesting that the gas is photoionized by a fairly hard X-ray continuum. The deduced values of L-alpha/H-beta and H-alpha/H-beta compare favorably with predictions of recent models.

  13. Discovery of Broad Soft X-ray Absorption Lines from the Quasar Wind in PDS 456

    NASA Astrophysics Data System (ADS)

    Reeves, J. N.; Braito, V.; Nardini, E.; Behar, E.; O'Brien, P. T.; Tombesi, F.; Turner, T. J.; Costa, M. T.

    2016-06-01

    High-resolution soft X-ray spectroscopy of the prototype accretion disk wind quasar, PDS 456, is presented. Here, the XMM-Newton reflection grating spectrometer spectra are analyzed from the large 2013-2014 XMM-Newton campaign, consisting of five observations of approximately 100 ks in length. During the last observation (OBS. E), the quasar is at a minimum flux level, and broad absorption line (BAL) profiles are revealed in the soft X-ray band, with typical velocity widths of {σ }{{v}}˜ {{10,000}} km s-1. During a period of higher flux in the third and fourth observations (OBS. C and D, respectively), a very broad absorption trough is also present above 1 keV. From fitting the absorption lines with models of photoionized absorption spectra, the inferred outflow velocities lie in the range ˜ 0.1{--}0.2c. The absorption lines likely originate from He and H-like neon and L-shell iron at these energies. A comparison with earlier archival data of PDS 456 also reveals a similar absorption structure near 1 keV in a 40 ks observation in 2001, and generally the absorption lines appear most apparent when the spectrum is more absorbed overall. The presence of the soft X-ray BALs is also independently confirmed by an analysis of the XMM-Newton EPIC spectra below 2 keV. We suggest that the soft X-ray absorption profiles could be associated with a lower ionization and possibly clumpy phase of the accretion disk wind, where the latter is known to be present in this quasar from its well-studied iron K absorption profile and where the wind velocity reaches a typical value of 0.3c.

  14. Ultraviolet and Visible Absorption Spectra of Potassium and Potassium-Xenon Mixtures

    NASA Astrophysics Data System (ADS)

    Johnson, Daniel Enoch

    1985-12-01

    The visible absorption spectrum of the potassium dimer has been studied using a new type of optical cell designed specifically for the alkali vapors or alkali-rare gas mixtures. Particular emphasis has been placed on examining the diffuse K(,2) bands lying at 722 nm, 575 nm, 478 nm and 402 nm. Measurements of the reduced absorption coefficient for each feature are presented, and band assignments are made in light of ab initio potential energy level calculations for K(,2) that were recently made by Konowalow and Fish. The 575 nm band is found to arise from the free-bound (excimer) 2('3)(PI)(,g) (<---) 1('3)(SIGMA)(,u)('+) transition of the molecule, and the band peaking near 722 nm, which has been previously attributed to the 1('3)(PI)(,g) (<---) 1('3)(SIGMA)(,u)('+) transition, has been reexamined. The blue and violet features are shown to probably arise from the C('1)(PI)(,u) (<---) X('1)(SIGMA)(,g)('+) transition of K(,2). The ultraviolet and visible absorption spectra of potassium vapor - xenon mixtures have been studied for K and Xe as large as 7(.)10('17) cm('-3) and 4(.)10('19) cm('-3), respectively. Collision -induced absorption is observed inthe ultraviolet (285 (LESSTHEQ) (lamda) < 370 nm) for the 4S (--->) nF, nD (4 (LESSTHEQ) n (LESSTHEQ) 8) transitions as well as for the 4S (--->) 5S transition in the visible, but peak absorption lies an average of (TURN)0.6 nm to the red side of the position of the electric dipole forbidden line. The 4S (--->) 4F, 5F transitions, in particular, are quite strong, having peak reduced absorption coefficients measured (within a factor of 2) to be 1.1(.)10('-39) cm('5) and 2.6(.)10(' -40) cm('5), respectively. The KXe (C('2)(SIGMA)) excimer has been observed in absorption for the first time. Absorption at the band peak (reduced absorption coeffi- cient of (TURN)2(.)10(' -40) cm('5) at (lamda) = 507 nm) is roughly two orders of magnitude weaker than that for the analogous bands of CsXe and RbXe and is displaced at least 5 nm

  15. EVIDENCE FOR PHOTOIONIZATION-DRIVEN BROAD ABSORPTION LINE VARIABILITY

    SciTech Connect

    Wang, Tinggui; Yang, Chenwei; Wang, Huiyuan; Ferland, Gary

    2015-12-01

    We present a qualitative analysis of the variability of quasar broad absorption lines using the large multi-epoch spectroscopic data set of the Sloan Digital Sky Survey Data Release 10. We confirm that variations of absorption lines are highly coordinated among different components of the same ion or the same absorption component of different ions for C iv, Si iv, and N v. Furthermore, we show that the equivalent widths (EWs) of the lines decrease or increase statistically when the continuum brightens or dims. This is further supported by the synchronized variations of emission and absorption-line EWs when the well-established intrinsic Baldwin effect for emission lines is taken into account. We find that the emergence of an absorption component is usually accompanied by the dimming of the continuum while the disappearance of an absorption-line component is accompanied by the brightening of the continuum. This suggests that the emergence or disappearance of a C iv absorption component is only the extreme case, when the ionic column density is very sensitive to continuum variations or the continuum variability the amplitude is larger. These results support the idea that absorption-line variability is driven mainly by changes in the gas ionization in response to continuum variations, that the line-absorbing gas is highly ionized, and in some extreme cases, too highly ionized to be detected in UV absorption lines. Due to uncertainties in the spectroscopic flux calibration, we cannot quantify the fraction of quasars with asynchronized continuum and absorption-line variations.

  16. [Decomposition of hemoglobin UV absorption spectrum into absorption spectra of prosthetic group and apoprotein by means of an additive model].

    PubMed

    Lavrinenko, I A; Vashanov, G A; Artyukhov, V G

    2015-01-01

    The decomposition pathways of hemoglobin UV absorption spectrum into the absorption spectra of the protein and non-protein components are proposed and substantiated by means of an additive model. We have established that the heme component has an absorption band with a maximum at λ(max) = 269.2 nm (ε = 97163) and the apoprotein component has an absorption band with a maximum at λ(max) = 278.4 nm (ε = 48669) for the wavelength range from 240.0 to 320.0 nm. An integral relative proportion of absorption for the heme fraction (78.8%) and apoprotein (21.2%) in the investigating wavelength range is defined.

  17. QSO Lyalpha Absorption Lines in Galaxy Superclusters and Voids

    NASA Astrophysics Data System (ADS)

    Stocke, J. T.; Shull, J. M.; Penton, S.; Burks, G.; Donahue, M.

    1993-12-01

    We have used the Hubble Space Telescope (HST) Goddard High Resolution Spectrograph (GHRS) to search for Lyalpha absorption clouds in nearby galaxy voids (cz <= 10,000 km s(-1) ). Thus far, we have obtained GHRS spectra (G160M, 1225 -- 1255 Angstroms, 0.25 Angstroms resolution) of three very bright Active Galactic Nuclei, Mrk 501, I Zw I, and Mrk 335, at V <= 14.5. We find 4 probable (4.0 sigma - 4.5 sigma ) and 4 definite (5 sigma - 16 sigma ) Lyalpha absorption lines, with equivalent widths W_λ = 50 - 200 m Angstroms, corresponding to column densities N(H I) = 10(13) -- 10(14) cm(-2) , assuming a typical Doppler parameter of b = 25 km s(-1) . Based on an updated version of the CfA redshift survey (Huchra and Clemens, private communication), most of these Lyalpha systems appear to be associated with supercluster - sized ``strings'' of galaxies similar to the ``Great Wall''. Toward Mrk 501, the nearest bright galaxy at the redshift of the strongest (200 m Angstroms) Lyalpha cloud lies 500 h75(-1) kpc off the line of sight. Models of H I disks exposed to the intergalactic ionizing radiation field (Dove & Shull 1994, ApJ, 423, in press) show that the N(H I) = 10(13) cm(-2) contour in a typical spiral galaxy is reached at 100 kpc radial extent. Thus, the Lyalpha absorbers associated with galaxy-string systems may be the result of H I in an extended halo, in dwarf satellite galaxies (M_B > -15), or in tidally-stripped gas. Most importantly for cosmological origins of baryons, one (4.3 sigma ) Lyalpha absorption line in the spectrum of Mrk 501 lies within the galaxy void in the foreground of the ``Great Wall''. The nearest bright galaxy, to a level M_B <= -18.5 for H_0 = 75 km s(-1) Mpc(-1) , is more than 5 Mpc away. A pencil-beam survey of faint galaxies to M_B = -16.0 finds no galaxy within 100 h75(-1) kpc of the line of sight, at or near the absorber redshift.

  18. Error reduction in retrievals of atmospheric species from symmetrically measured lidar sounding absorption spectra.

    PubMed

    Chen, Jeffrey R; Numata, Kenji; Wu, Stewart T

    2014-10-20

    We report new methods for retrieving atmospheric constituents from symmetrically-measured lidar-sounding absorption spectra. The forward model accounts for laser line-center frequency noise and broadened line-shape, and is essentially linearized by linking estimated optical-depths to the mixing ratios. Errors from the spectral distortion and laser frequency drift are substantially reduced by averaging optical-depths at each pair of symmetric wavelength channels. Retrieval errors from measurement noise and model bias are analyzed parametrically and numerically for multiple atmospheric layers, to provide deeper insight. Errors from surface height and reflectance variations are reduced to tolerable levels by "averaging before log" with pulse-by-pulse ranging knowledge incorporated.

  19. Complex Investigation of the Absorption and Emission Spectra of Carbon Dioxide

    NASA Astrophysics Data System (ADS)

    Moskalenko, N. I.; Zotov, O. V.; Il'in, Yu. A.; Parzhin, S. N.; Khamidullina, M. S.

    2017-04-01

    Absorption and emission spectra of carbon dioxide are measured and analyzed for temperatures 220-2500 K in the spectral range 1-25 μm. Intensities and half-widths of the spectral lines are determined and hightemperature atlas of the spectral lines' parameters is compiled. Based on the developed mathematical model, the parameters of spectral transmission functions of CO2 are obtained at different temperatures in the vibration-rotation and pressure-induced bands of CO2. Practical application of the obtained radiative characteristics is considered for solving problems of radiative heat exchange in planetary atmospheres and high-temperature media and designing optoelectronic systems intended for aero carriers monitoring.

  20. The Mean Metal-line Absorption Spectrum of Damped Lyα Systems in BOSS

    NASA Astrophysics Data System (ADS)

    Mas-Ribas, Lluís; Miralda-Escudé, Jordi; Pérez-Ràfols, Ignasi; Arinyo-i-Prats, Andreu; Noterdaeme, Pasquier; Petitjean, Patrick; Schneider, Donald P.; York, Donald G.; Ge, Jian

    2017-09-01

    We study the mean absorption spectrum of the Damped Lyα (DLA) population at z ˜ 2.6 by stacking normalized, rest-frame-shifted spectra of ˜27,000 DLA systems from the DR12 of the Baryon Oscillation Spectroscopic Survey (BOSS)/SDSS-III. We measure the equivalent widths of 50 individual metal absorption lines in five intervals of DLA hydrogen column density, five intervals of DLA redshift, and overall mean equivalent widths for an additional 13 absorption features from groups of strongly blended lines. The mean equivalent width of low-ionization lines increases with N H i , whereas for high-ionization lines the increase is much weaker. The mean metal line equivalent widths decrease by a factor ˜1.1-1.5 from z ˜ 2.1 to z ˜ 3.5, with small or no differences between low- and high-ionization species. We develop a theoretical model, inspired by the presence of multiple absorption components observed in high-resolution spectra, to infer mean metal column densities from the equivalent widths of partially saturated metal lines. We apply this model to 14 low-ionization species and to Al iii, S iii, Si iii, C iv, Si iv, N v, and O vi. We use an approximate derivation for separating the equivalent width contributions of several lines to blended absorption features, and infer mean equivalent widths and column densities from lines of the additional species N i, Zn ii, C ii*, Fe iii, and S iv. Several of these mean column densities of metal lines in DLAs are obtained for the first time; their values generally agree with measurements of individual DLAs from high-resolution, high signal-to-noise ratio spectra when they are available.

  1. [Absorption spectra of nucleic acids and related compounds in the spectral region 120--280 nm].

    PubMed

    Kiseleva, M N; Zarochentseva, E P; Dodonova, N Ia

    1975-01-01

    The absorption spectra of thin films of nucleic acids, nucleosides, nucleotides, D-ribose, Na3PO4 in vacuum ultraviolet region are measured. In the spectral region 280--160 nm the absorption spectra consist of the bands of nucleic acid bases. In the range shorter than 160 nm the absorption is determined by phosphate and D-ribose groups. The methods of thin films preparation are discussed.

  2. A QM/MM study of absorption spectra of uracil derivatives in aqueous solution

    NASA Astrophysics Data System (ADS)

    Nakayama, Akira

    2016-12-01

    The absorption spectra of three representative uracil derivatives (uracil, thymine, and 5-fluorouracil) in aqueous solution are investigated by the QM/MM approach, where the CASPT2 method is employed to evaluate the excitation energies. The computed absorption spectra are in good agreement with the experimental results, and in particular, the relative values of the absorption maximum between these derivatives are well reproduced in the simulations.

  3. Studies of OH - absorption and optical absorption spectra in LiNbO 3 : Mg, Ti crystals

    NASA Astrophysics Data System (ADS)

    Liu, Jianjun; Zhang, Wanlin; Zhang, Guangyin

    1996-02-01

    The OH - absorption spectra and the UV absorption edges of LiNbO 3 : Mg, Ti crystals have been measured. It is shown that Ti doping raises the Mg doping threshold level, and shifts the absorption edge towards longer wavelengths. The results can be explained by the formation of Mg Li2+Ti Nb4+ pairs after all antisite defects Nb Li have been replaced.

  4. Low-temperature absorption spectra and electron structure of HoFe3(BO3)4 single crystal

    NASA Astrophysics Data System (ADS)

    Malakhovskii, A. V.; Gnatchenko, S. L.; Kachur, I. S.; Piryatinskaya, V. G.; Gudim, I. A.

    2017-05-01

    Polarized absorption spectra of HoFe3(BO3)4 single crystal in the range of 8500-24 500 cm-1 were studied as a function of temperature beginning from 2 K. The ground and excited electron states of Ho3+ were identified. The abrupt changes of the spectra at the reorientation phase transition at 4.7 K were observed. The exchange splitting of some excited states were revealed and measured. They changed at the reorientation phase transition. Several vibronic transitions were observed. The splitting of absorption lines corresponding to the C2 local symmetry of the Ho ion was not observed. Moreover, spectra of some absorption bands correspond to splitting in the cubic crystal field. There are some absorption lines, whose polarization cannot be explained both in D3 and C2 local symmetries. Some lines appear or disappear as a result of the transition from the easy axis to the easy plane state of the crystal. All these observations testify to the substantial changes of the local magnetic and structural properties in the excited states of the Ho3+ ion and to the strong influence of the magnetic moments orientation on the polarization of the electron transitions.

  5. Investigating broad absorption line quasars with SDSS and UKIDSS .

    NASA Astrophysics Data System (ADS)

    Maddox, Natasha; Hewett, P. C.

    The SDSS contains the largest set of spectroscopically confirmed broad line quasars ever compiled. Upon its completion, the UKIDSS LAS will provide a near-infrared counterpart to the SDSS, reaching 3 magnitudes deeper than 2MASS over a 4000 square degree area within the SDSS footprint. Combining the SDSS optical and UKIDSS near-infrared data, allows a new insight into the photometric and spectroscopic properties of broad absorption line quasars (BALQSOs) relative to the quasar population as a whole. An accurate estimate of the intrinsic BALQSO fraction is essential for determining the BAL cloud covering fraction and the implications for the co-evolution of accreting supermassive black holes and their host galaxies. Defining a K-band limited sample of quasars makes clear the significantly redder distribution of i-K colours of the BALQSOs. The BALQSO i-K colour distribution enables us to estimate a lower limit to the intrinsic BALQSO fraction, computed to be ˜ 30 percent, significantly larger than the optical fraction of 15-20 percent found by several authors. We combined the high-quality SDSS spectra of the quasar sample to make several composite spectra based on i-K colour, and the properties of these composites are compared to a composite spectrum of unreddened quasars. If the origin of the wavelength dependent differences between the red and unreddened objects is ascribed to attenuation by dust, we find that the extinction curve of the material is intermediate in form between the steep SMC-like extinction curve and the recent, empirically determined, extinction curve presented by Gaskell & Benker (2007).

  6. Outflow and hot dust emission in broad absorption line quasars

    SciTech Connect

    Zhang, Shaohua; Zhou, Hongyan; Wang, Huiyuan; Wang, Tinggui; Xing, Feijun; Jiang, Peng; Zhang, Kai E-mail: whywang@mail.ustc.edu.cn

    2014-05-01

    We have investigated a sample of 2099 broad absorption line (BAL) quasars with z = 1.7-2.2 built from the Sloan Digital Sky Survey Data Release Seven and the Wide-field Infrared Survey. This sample is collected from two BAL quasar samples in the literature and is refined by our new algorithm. Correlations of outflow velocity and strength with a hot dust indicator (β{sub NIR}) and other quasar physical parameters—such as an Eddington ratio, luminosity, and a UV continuum slope—are explored in order to figure out which parameters drive outflows. Here β{sub NIR} is the near-infrared continuum slope, which is a good indicator of the amount of hot dust emission relative to the accretion disk emission. We confirm previous findings that outflow properties moderately or weakly depend on the Eddington ratio, UV slope, and luminosity. For the first time, we report moderate and significant correlations of outflow strength and velocity with β{sub NIR} in BAL quasars. It is consistent with the behavior of blueshifted broad emission lines in non-BAL quasars. The statistical analysis and composite spectra study both reveal that outflow strength and velocity are more strongly correlated with β{sub NIR} than the Eddington ratio, luminosity, and UV slope. In particular, the composites show that the entire C IV absorption profile shifts blueward and broadens as β{sub NIR} increases, while the Eddington ratio and UV slope only affect the high and low velocity part of outflows, respectively. We discuss several potential processes and suggest that the dusty outflow scenario, i.e., that dust is intrinsic to outflows and may contribute to the outflow acceleration, is most likely.

  7. Low-Cost Elimination of Plasma Lines in Raman Spectra.

    ERIC Educational Resources Information Center

    Behlow, Herbert W., Jr.; Petersen, John D.

    1985-01-01

    Describes a low-cost ($120) device which eliminates plasma lines in Raman spectra. The device consists of two prisms and two mirrors which are held in a symmetrical relationship to one another so that a particular position will allow only one wavelength to pass through on a given axis. (JN)

  8. Low-Cost Elimination of Plasma Lines in Raman Spectra.

    ERIC Educational Resources Information Center

    Behlow, Herbert W., Jr.; Petersen, John D.

    1985-01-01

    Describes a low-cost ($120) device which eliminates plasma lines in Raman spectra. The device consists of two prisms and two mirrors which are held in a symmetrical relationship to one another so that a particular position will allow only one wavelength to pass through on a given axis. (JN)

  9. LASER APPLICATIONS AND OTHER TOPICS IN QUANTUM ELECTRONICS: Analysis of the absorption spectra and spectral hole burning in zero-phonon lines of F+3 and N1 colour centres in LiF crystals

    NASA Astrophysics Data System (ADS)

    Fedorov, A. V.; Martyshkin, D. V.; Fedorov, V. V.

    2010-09-01

    The temperature dependences and mechanisms of broadening of zero-phonon lines of F+3 (488 nm) and N1 (523 nm) colour centres in LiF crystals are investigated. The results obtained make it possible to determine the quadratic electronic—vibrational coupling constant for N1 colour centres. The experimental data on the spectral hole burning in zero-phonon lines of F+3 and N1 colour centres indicate that the latter are positively charged.

  10. Shock-reflected electrons and X-ray line spectra

    NASA Astrophysics Data System (ADS)

    Dzifčáková, E.; Vandas, M.; Karlický, M.

    2017-07-01

    Aims: The aim of this paper is to try to explain the physical origin of the non-thermal electron distribution that is able to form the enhanced intensities of satellite lines in the X-ray line spectra observed during the impulsive phases of some solar flares. Methods: Synthetic X-ray line spectra of the distributions composed of the distribution of shock reflected electrons and the background Maxwellian distribution are calculated in the approximation of non-Maxwellian ionization, recombination, excitation and de-excitation rates. The distribution of shock reflected electrons is determined analytically. Results: We found that the distribution of electrons reflected at the nearly-perpendicular shock resembles, at its high-energy part, the so called n-distribution. Therefore it could be able to explain the enhanced intensities of Si xiid satellite lines. However, in the region immediately in front of the shock its effect is small because electrons in background Maxwellian plasma are much more numerous there. Therefore, we propose a model in which the shock reflected electrons propagate to regions with smaller densities and different temperatures. Combining the distribution of the shock-reflected electrons with the Maxwellian distribution having different densities and temperatures we found that spectra with enhanced intensities of the satellite lines are formed at low densities and temperatures of the background plasma when the combined distribution is very similar to the n-distribution also in its low-energy part. In these cases, the distribution of the shock-reflected electrons controls the intensity ratio of the allowed Si xiii and Si xiv lines to the Si xiid satellite lines. The high electron densities of the background plasma reduce the effect of shock-reflected electrons on the composed electron distribution function, which leads to the Maxwellian spectra.

  11. Variability of the broad absorption lines in the QSO UM 232

    NASA Technical Reports Server (NTRS)

    Barlow, Thomas A.; Junkkarinen, Vesa T.; Burbidge, E. Margaret

    1989-01-01

    Low-resolution spectra of UM 232 taken in 1978, 1979, and 1988 at Lick Observatory are presented. Large changes in the Si IV lambda 1397, CIV lambda 1549, and Al III lambda 1857 broad absorption lines are apparent. The decrease in column density in all three ions and an observed brightening of the QSO suggests that these changes are due to an increase in the ionization level driven by an increase in the central source luminosity. This mechanism has been proposed by Smith and Penston to explain small changes in the absorption spectrum of the QSO 1246-057. The spectra of UM 232 show that the fractional decrease in optical depth is smaller at higher outflow velocies. The structure of the broad absorption-line region (BALR) is investigted by estimating an ionization parameter for each ion species as a function of velocity.

  12. 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

    effective methods for eliminating contamination of Martian surface spectra by absorption in the solar, terrestrial, and Martian atmospheres. Both methods involve the use of very-high-resolution spectra that completely resolve the narrow atmospheric absorption lines.

  13. 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.

  14. Balmer Absorption Lines in FeLoBALs

    NASA Astrophysics Data System (ADS)

    Aoki, K.; Iwata, I.; Ohta, K.; Tamura, N.; Ando, M.; Akiyama, M.; Kiuchi, G.; Nakanishi, K.

    2007-10-01

    We discovered non-stellar Balmer absorption lines in two many-narrow-trough FeLoBALs (mntBALs) by the near-infrared spectroscopy with Subaru/CISCO. Presence of the non-stellar Balmer absorption lines is known to date only in the Seyfert galaxy NGC 4151; thus our discovery is the first cases for quasars. Since all known active galactic nuclei with Balmer absorption lines share similar characteristics, it is suggested that there is a population of BAL quasars which have unique structures at their nuclei or unique evolutionary phase.

  15. Absorption spectra of e-beam-excited Ne, Ar, and Kr, pure and in binary mixtures.

    PubMed

    Levchenko, A O; Ustinovskii, N N; Zvorykin, V D

    2010-10-21

    A technique using the broadband emission of a laser plume as probe radiation is applied to record UV-visible (190-510 nm) absorption spectra of Ne, Ar, and Kr, pure and in binary mixtures under moderate e-beam excitation up to 1 MW/cm(3). In all the rare gases and mixtures, the absorption spectra show continuum related to Rg(2) (+) homonuclear ions [peaking at λ∼285, 295, and 320 nm in Ne, Ar, and Kr(Ar/Kr), respectively] and a number of atomic lines related mainly to Rg(∗)(ms) levels, where m is the lowest principal quantum number of the valence electron. In argon, a continuum related to Ar(2) (∗) (λ∼325 nm) is also recorded. There are also trains of narrow bands corresponding to Rg(2) (∗)(npπ (3)Π(g))←Rg(2) (∗)(msσ (3)Σ(u) (+)) transitions. All the spectral features mentioned above were reported in literature but have never been observed simultaneously. Although charge transfer to a homonuclear ion of the heavier additive is commonly believed to dominate in binary rare-gas mixtures, it is found in this study that in Ne/Kr mixture, the charge is finally transferred from the buffer gas Ne(2) (+) ion not to Kr(2) (+) but to heteronuclear NeKr(+) ion.

  16. PG 1700 + 518 - a low-redshift, broad absorption line QSO

    SciTech Connect

    Pettini, M.; Boksenberg, A.

    1985-07-01

    The first high-resolution optical spectra and lower resolution UV spectra of PG 1700 + 518, the only known broad-absorption-line (BAL) QSO at low emission redshift (0.288) are presented. The optical data were obtained with the Isaac Newton Telescope on the island of La Palma and the UV data with the International Ultraviolet Explorer satellite. The outstanding feature of the optical spectrum is a strong, broad Mg II absorption trough, detached from the Mg II emission line and indicative of ejection velocities of between 7000 and 18,000 km/s. Also detected were narrow (FWHM = 350 km/s) Mg II absorption lines at absolute z = 0.2698, which are probably related to the mass ejection phenomenon. It is concluded that the emission-line spectrum is similar to that of other low-redshift QSOs although there are some obvious differences from typical BAL QSOs, most notably in the unusually low level of ionization of both emission-line and broad absorption line gas. 21 references.

  17. Influence of substitution on the T-T absorption spectra in furocoumarins

    NASA Astrophysics Data System (ADS)

    Bryantseva, N. G.

    2006-11-01

    The present paper deals with compounds called photosensitizers, namely, psoralen, 3,4-phenyl-4',5'- cyclohexylpsoralen, 4'-methyl-3,4-cycloheptyl psoralen, 4',5'-dimethyl-3,4-cyclohexyl psoralen (fig. 1). The absorption spectra from excited triplets states were investigated. The computed triplet-triplet absorption spectra of research compounds have been determined using INDO method. The experimental triplet-triplet absorption spectra have been obtained using the technique of laser flash photolysis in ethanol. The compare of computed and experimental data is shows that the computed second band wavelenght throughout agree very well (0,5-6 nm) with experimental data.

  18. Broad Absorption Line Quasars and Galaxy Evolution

    NASA Astrophysics Data System (ADS)

    Wills, B. J.

    2009-12-01

    Luminous QSOs are signposts to galaxy evolution. Local supermassive black holes are the faded relics of quasars in their heyday at redshifts ˜2. Relationships between the masses of these local supermassive black holes and their host galaxy bulges reveal an intimate link, fundamental to galaxy evolution: the newly evolving galaxy fuels the seed black hole through its accretion disk and by loss of angular momentum and energy in the form of outflowing winds. As the central engine approaches Eddington luminosities, winds drive away dusty gas, revealing a luminous QSO and halting star formation in the galaxy bulge. Relativistic winds are manifested in powerful radio jets in ˜10% of quasars, and sub-relativistic winds are revealed by broad blueshifted absorption troughs in the “broad absorption line” (BAL) quasars. Historically, BALs avoid powerful radio quasars. Here we examine the BALs to investigate this inverse connection.

  19. Linear absorption and two-dimensional infrared spectra of N-methylacetamide in chloroform revisited: polarizability and multipole effects.

    PubMed

    Jansen, Thomas L C

    2014-07-17

    The effect of solvent polarizability and multipole effects on the amide I vibrational spectra of a peptide unit is investigated. Four molecular dynamics force fields of increasing complexity for the solvent are used to model both the linear absorption and two-dimensional infrared spectra. It is observed that, at least in chloroform solution, the predicted solvent shift is considerably improved when accounting for the polarizabiltiy and multipole effects. The latter are typically connected with halogen bonding. Significant deviations are still observed for more sensitive line shape parameters such as the spectral width and line skewness. However, the findings demonstrate that previously observed deviations have an origin in the force field treatment rather than in the electrostatic mapping procedure frequently employed to simulate linear absorption and two-dimensional infrared spectroscopy.

  20. NEW Fe I LEVEL ENERGIES AND LINE IDENTIFICATIONS FROM STELLAR SPECTRA

    SciTech Connect

    Peterson, Ruth C.; Kurucz, Robert L.

    2015-01-01

    The spectrum of the Fe I atom is critical to many areas of astrophysics and beyond. Measurements of the energies of its high-lying levels remain woefully incomplete, however, despite extensive laboratory and solar analysis. In this work, we use high-resolution archival absorption-line ultraviolet and optical spectra of stars whose warm temperatures favor moderate Fe I excitation. We derive the energy for a particular upper level in Kurucz's semiempirical calculations by adopting a trial value that yields the same wavelength for a given line predicted to be about as strong as that of a strong unidentified spectral line observed in the stellar spectra, then checking the new wavelengths of other strong predicted transitions that share the same upper level for coincidence with other strong observed unidentified lines. To date, this analysis has provided the upper energies of 66 Fe I levels. Many new energy levels are higher than those accessible to laboratory experiments; several exceed the Fe I ionization energy. These levels provide new identifications for over 2000 potentially detectable lines. Almost all of the new levels of odd parity include UV lines that were detected but unclassified in laboratory Fe I absorption spectra, providing an external check on the energy values. We motivate and present the procedure, provide the resulting new energy levels and their uncertainties, list all the potentially detectable UV and optical new Fe I line identifications and their gf values, point out new lines of astrophysical interest, and discuss the prospects for additional Fe I energy level determinations.

  1. New Fe I Level Energies and Line Identifications from Stellar Spectra

    NASA Astrophysics Data System (ADS)

    Peterson, Ruth C.; Kurucz, Robert L.

    2015-01-01

    The spectrum of the Fe I atom is critical to many areas of astrophysics and beyond. Measurements of the energies of its high-lying levels remain woefully incomplete, however, despite extensive laboratory and solar analysis. In this work, we use high-resolution archival absorption-line ultraviolet and optical spectra of stars whose warm temperatures favor moderate Fe I excitation. We derive the energy for a particular upper level in Kurucz's semiempirical calculations by adopting a trial value that yields the same wavelength for a given line predicted to be about as strong as that of a strong unidentified spectral line observed in the stellar spectra, then checking the new wavelengths of other strong predicted transitions that share the same upper level for coincidence with other strong observed unidentified lines. To date, this analysis has provided the upper energies of 66 Fe I levels. Many new energy levels are higher than those accessible to laboratory experiments; several exceed the Fe I ionization energy. These levels provide new identifications for over 2000 potentially detectable lines. Almost all of the new levels of odd parity include UV lines that were detected but unclassified in laboratory Fe I absorption spectra, providing an external check on the energy values. We motivate and present the procedure, provide the resulting new energy levels and their uncertainties, list all the potentially detectable UV and optical new Fe I line identifications and their gf values, point out new lines of astrophysical interest, and discuss the prospects for additional Fe I energy level determinations.

  2. Assignment of benzodiazepine UV absorption spectra by the use of photoelectron spectroscopy

    NASA Astrophysics Data System (ADS)

    Khvostenko, O. G.; Tzeplin, E. E.; Lomakin, G. S.

    2002-04-01

    Correlations between singlet transition energies and energy gaps of corresponding pairs of occupied and unoccupied molecular orbitals were revealed in a series of benzodiazepines. The occupied orbital energies were taken from the photoelectron spectra of the compound investigated, the unoccupied ones were obtained from MNDO/d calculations, and the singlet energies were taken from the UV absorption spectra. The correspondence of the singlet transitions to certain molecular orbitals was established using MNDO/d calculations and comparing between UV and photoelectron spectra. It has been concluded that photoelectron spectroscopy can be applied for interpretation of UV absorption spectra of various compounds on the basis of similar correlations.

  3. Theoretical Prediction of Si2–Si33 Absorption Spectra

    DOE PAGES

    Zhao, Li -Zhen; Lu, Wen -Cai; Jilin Univ., Jilin; ...

    2017-07-07

    Here, the optical absorption spectra of Si2–Si33 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 ultraviolet region ofmore » 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. On the identification of deuterium lines in QSO absorption systems

    NASA Astrophysics Data System (ADS)

    Levshakov, S. A.; Takahara, F.

    1996-07-01

    The ambiguity of identification of deuterium lines in QSO absorption systems is considered, under the assumption that the D I and H I absorption lines are formed in turbulent media with a finite correlation length of the stochastic velocity field. The relative shift of the D I and H I lines is shown to vary over the range +/-(4-8) km s^- 1^ for a cloud model with hydrogen column density N_HI_ = 10^17^ cm^-2^, the ratio D/H = 10^-4^, and kinetic temperature T_kin_ = 10^4^ K. The variations in the relative shift of the deuterium lines are fundamental in character and result from the stochastic nature of the formation of absorption lines in turbulent media

  5. Analysis of gamma-ray burst spectra with cyclotron lines

    NASA Technical Reports Server (NTRS)

    Kargatis, Vincent; Liang, Edison P.

    1992-01-01

    Motivated by the recent developments in the cyclotron resonance upscattering of soft photons or CUSP model of Gamma Ray Burst (GBR) continuum spectra, we revisit a select database of GRBs with credible cyclotron absorption features. We measure the break energy of the continuum, the slope below the break and deduce the soft photon energy or the electron beam Lorentz factor cutoff. We study the correlation (or lack of) between various parameters in the context of the CUSP model. One surprise result is that there appears to be marginal correlation between the break energy and the spectral index below the break.

  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. 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.

  8. Systematic view of optical absorption spectra in the actinide series

    SciTech Connect

    Carnall, W.T.

    1985-01-01

    In recent years sufficient new spectra of actinides in their numerous valence states have been measured to encourage a broader scale analysis effort than was attempted in the past. Theoretical modelling in terms of effective operators has also undergone development. Well established electronic structure parameters for the trivalent actinides are being used as a basis for estimating parameters in other valence states and relationships to atomic spectra are being extended. Recent contributions to our understanding of the spectra of 4+ actinides have been particularly revealing and supportive of a developing general effort to progress beyond a preoccupation with modelling structure to consideration of the much broader area of structure-bonding relationships. We summarize here both the developments in modelling electronic structure and the interpretation of apparent trends in bonding. 60 refs., 9 figs., 1 tab.

  9. 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.

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

    NASA Astrophysics Data System (ADS)

    Hoepffner, Nicolas; Sathyendranath, Shubha

    1993-12-01

    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.

  12. Analysis and Interpretation of Astrophysical Optical Emission-Line Spectra

    NASA Astrophysics Data System (ADS)

    Loubser, S. I.

    This study consists of a quantitative optical emission-line analysis of spectra from five blue compact galaxies (Zw 0855, Mrk 1267, II Zw 33, Tol 2 & Tol 3), as well as a qualitative analysis of spectra from two galactic H II regions (NGC 3603 & NGC 3576). It serves a two-fold purpose: first, to understand the CCD reduction, spectra extraction and different nebular analysis methods, together with their applications and limitations, preparatory to studies using the Southern African Large Telescope (SALT) and second, to extend current star formation related research to include extragalactic starburst galaxies. The observations were carried out using the 1.9m telescope (equipped with a grating spectroscope and CCD detector) of the South African Astronomical Observatory (SAAO), during the period 1 to 7 March 2005. The necessary CCD data reduction, spectra extraction, wavelength and flux calibration, Doppler shift as well as reddening correction procedures were performed before the emission lines were identified and measured. A full nebular analysis, including temperature, density, metallicity (oxygen abundance) and other chemical abundance determinations, was performed on the blue compact galaxies (BCGs). Two different nebular analysis packages viz. IRAF's nebular and SNAP were used, with all the results well within the range of values expected for metal poor BCGs. Recommendations on the different methods and their applications are made.

  13. High-frequency monitoring of quasars with absorption lines

    NASA Astrophysics Data System (ADS)

    Cegłowski, Maciej; Hayashi, Takayuki J.; Kunert-Bajraszewska, Magdalena; Katarzyński, Krzysztof

    2017-10-01

    An investigation of the origin of the broad absorption lines observed in some quasars was performed. We selected a sample of the most luminous objects and observed them with the VERA interferometer at 22 GHz. We also used a single 32-meter antenna, located near Toruń in Poland, to monitor variability of these quasars at 30 GHz. We succeed in detecting 16 out of 19 initially selected objects. The main aim of our observations was to determine the spacial orientation of the observed sources and their evolutionary status. We investigated their radio maps, performed the variability studies, and examined their radio spectra as well as the emission in the broadband frequency range. Most of the quasars from our sample seem to evolve in a similar way to young radio objects. However, radio structures of two sources may suggest that these objects are restarted active galactic nuclei. This may indicate a diversity of evolutionary stages in our sample. Six of the investigated sources were classified as candidates for the variable objects.

  14. Probing Quasar Winds Using Intrinsic Narrow Absorption Lines

    NASA Astrophysics Data System (ADS)

    Culliton, Christopher S.; Charlton, Jane C.; Eracleous, Michael; Roberts, Amber; Ganguly, Rajib; Misawa, Toru; Muzahid, Sowgat

    2017-01-01

    Quasar outflows are important for understanding the accretion and growth processes of the central black hole. Furthermore, outflows potentially have a role in providing feedback to the galaxy, and halting star formation and infall of gas. The geometry and density of these outflows remain unknown, especially as a function of ionization and velocity. Having searched ultraviolet spectra at both high redshift (VLT/UVES; 1.4absorption lines (NALs) that are intrinsic to (physically associated with) the quasar. We identify intrinsic NALs with a wide range of properties, including ejection velocity, coverage fraction, and ionization level. We also consider the incidence of intrinsic absorbers as a function of quasar properties (optical, radio and X-ray fluxes), and find that radio properties and quasar orientation are influential in determining if a quasar is likely to host an intrinsic system. We find that there is a continuum of properties within the intrinsic NAL sample, rather than discrete families, ranging from partially covered CIV systems with black Lya and with a separate low ionization gas phase to partially covered NV systems with partially covered Lya and without detected low ionization gas. Additionally, we construct a model describing the spatial distributions, geometries, and varied ionization structures of intrinsic NALs.

  15. A method for normalization of X-ray absorption spectra

    SciTech Connect

    Weng, T.-C.; Waldo, G.S.; Penner-Hahn, J.E.

    2010-07-20

    Accurate normalization of X-ray absorption data is essential for quantitative analysis of near-edge features. A method, implemented as the program MBACK, to normalize X-ray absorption data to tabulated mass absorption coefficients is described. Comparison of conventional normalization methods with MBACK demonstrates that the new normalization method is not sensitive to the shape of the background function, thus allowing accurate comparison of data collected in transmission mode with data collected using fluorescence ion chambers or solid-state fluorescence detectors. The new method is shown to have better reliability and consistency and smaller errors than conventional normalization methods. The sensitivity of the new normalization method is illustrated by analysis of data collected during an equilibrium titration.

  16. SIMPLE MODELS OF METAL-LINE ABSORPTION AND EMISSION FROM COOL GAS OUTFLOWS

    SciTech Connect

    Prochaska, J. Xavier; Rubin, Kate

    2011-06-10

    We analyze the absorption and emission-line profiles produced by a set of simple, cool gas wind models motivated by galactic-scale outflow observations. We implement Monte Carlo radiative transfer techniques that track the propagation of scattered and fluorescent photons to generate one-dimensional spectra and two-dimensional spectral images. We focus on the Mg II {lambda}{lambda}2796, 2803 doublet and Fe II UV1 multiplet at {lambda} {approx} 2600 A, but the results are applicable to other transitions that trace outflows (e.g., Na I, H I Ly{alpha}, Si II). By design, the resonance transitions show blueshifted absorption but one also predicts strong resonance and fine-structure line emission at roughly the systemic velocity. This line-emission 'fills in' the absorption, reducing the equivalent width by up to 50%, shifting the absorption-line centroid by tens of km s{sup -1}, and reducing the effective opacity near systemic. Analysis of cool gas outflows that ignores this line emission may incorrectly infer that the gas is partially covered, measure a significantly lower peak optical depth, and/or conclude that gas at systemic velocity is absent (e.g., an interstellar or slowly infalling component). Because the Fe II lines are connected by optically thin transitions to fine-structure levels, their profiles more closely reproduce the intrinsic opacity of the wind. Together these results naturally explain the absorption and emission-line characteristics observed for star-forming galaxies at z < 1. We also study a scenario promoted to describe the outflows of z {approx} 3 Lyman break galaxies and find profiles inconsistent with the observations due to scattered photon emission. Although line emission complicates the analysis of absorption-line profiles, the surface brightness profiles offer a unique means of assessing the morphology and size of galactic-scale winds. Furthermore, the kinematics and line ratios offer powerful diagnostics of outflows, motivating deep

  17. Wind speed measurements of Doppler-shifted absorption lines using two-beam interferometry.

    PubMed

    Pierce, Robert M; Roark, Shane E

    2012-04-20

    Wind speed can be measured remotely, with varying degrees of success, using interferometry of Doppler-shifted optical spectra. Under favorable conditions, active systems using laser pulse backscatter are capable of high resolution; passive systems, which measure Doppler shifts of atmospheric emission lines in the mesosphere, have also been shown. Two-beam interferometry of Doppler-shifted absorption lines has not been previously investigated; we describe such an effort here. Even in a well-defined environment, measuring absorption line Doppler shifts requires overcoming several technical hurdles in order to obtain sensitivity to wind speeds on the order of 10 m/s. These hurdles include precise knowledge of the shape of the absorption line, tight, stable filtering, and understanding precisely how an interferometer phase should respond to a change in the absorption profile. We discuss the instrument design, a Michelson interferometer and Fabry-Perot filter, and include an analysis of how to choose the optimal optical path difference of the two beams for a given spectrum and filter. We discuss two beam interferometric measurements of emission line and absorption line Doppler shifts, and include an illustration of the effects of filtering on LIDAR Doppler interferometry. Finally, we discuss the construction and implementation of a Michelson interferometer used to measure Doppler shifts of oxygen absorption lines and present results obtained with 5 m/s wind speed measurement precision. Although the theoretical shot noise limited Doppler wind speed measurement of the system described can be less than 1 m/s, the instrument's resolution limit is dominated by residual filter instability. Application of absorption line interferometry to determine atmospheric wind speeds remains problematic.

  18. Core-exciton absorption in the F K absorption spectra of 3d transition-metal fluorides

    SciTech Connect

    Nakai, S.; Kawata, A.; Ohashi, M.; Kitamura, M.; Sugiura, C.; Mitsuishi, T.; Maezawa, H.

    1988-06-15

    Near-edge structure in the F K absorption spectra of 3d transition-metal fluorides, MnF/sub 2/, FeF/sub 2/, CoF/sub 2/, NiF/sub 2/, CuF/sub 2/, and ZnF/sub 2/, are measured. The shoulder structures or weak peaks located at the absorption threshold are observed. The origin of these peaks is attributed to the core-exciton absorption. This core-exciton absorption is accompanied by the transition from the 1s orbitals of fluorides to the 3d orbitals of the metal ion which hybridized with the anion 2p orbitals. Chemical shifts of the first peak are clearly observed and discussed in terms of the ionization potentials of the metal ions. It is found that the F K absorption spectra of the 3d transition-metal fluorides are quite similar to the Cl K absorption spectra of the 3d transition-metal chlorides.

  19. Quasar Absorption Lines and SDSS Galaxies

    NASA Astrophysics Data System (ADS)

    Shoemaker, Emileigh Suzanne; Scott, Jennifer E.; Oldak, Katarzyna

    2017-01-01

    We present the results of a study of the sightlines of 45 low redshift quasars (0.06 < z < 0.85) observed with HST/COS that lie within the footprint of the Sloan Digital Sky Survey. We use both the SDSS DR12 galaxy photometric data, including photometric redshifts, and the measured properties of the absorbers along with the known absorption characteristics of the intergalactic medium and the circumgalactic medium of galaxies to assign the most probable galaxy matches for each absorber in the sample, using estimated galaxy luminosities and virial radii as a discriminator. We show that the scheme can recover known galaxy-absorber matches found from spectroscopic data and thus provides a method for identifying likely pairs in photometric data sets as well as targets for spectroscopic follow up.

  20. Narrow absorption lines with two observations from the Sloan Digital Sky Survey

    NASA Astrophysics Data System (ADS)

    Chen, Zhi-Fu; Gu, Qiu-Sheng; Chen, Yan-Mei; Cao, Yue

    2015-07-01

    We assemble 3524 quasars from the Sloan Digital Sky Survey (SDSS) with repeated observations to search for variations of the narrow C IV λ λ 1548,1551 and Mg II λ λ 2796,2803 absorption doublets in spectral regions shortward of 7000 Å in the observed frame, which corresponds to time-scales of about 150-2643 d in the quasar rest frame. In these quasar spectra, we detect 3580 C IV absorption systems with zabs = 1.5188-3.5212 and 1809 Mg II absorption systems with zabs = 0.3948-1.7167. In term of the absorber velocity (β) distribution in the quasar rest frame, we find a substantial number of C IV absorbers with β < 0.06, which might be connected to absorption of quasar outflows. The outflow absorption peaks at υ ≈ 2000 km s^{-1} and drops rapidly below this peak value. Among 3580 C IV absorption systems, 52 systems (˜1.5 per cent) show obvious variations in equivalent widths in the absorber rest frame (Wr): 16 enhanced, 16 emerged, 12 weakened and 8 disappeared systems, respectively. We find that changes in Wrλ1548 are related neither to the time-scales of the two SDSS observations nor to absorber velocities in the quasar rest frame. Variable absorption in low-ionization species is important to constrain the physical conditions of the absorbing gas. There are two variable Mg II absorption systems measured from SDSS spectra detected by Hacker et al. However, in our Mg II absorption sample, we find that neither shows variable absorption with confident levels of >4σ for λ2796 lines and >3σ for λ2803 lines.

  1. The FTS atomic spectrum tool (FAST) for rapid analysis of line spectra

    NASA Astrophysics Data System (ADS)

    Ruffoni, M. P.

    2013-07-01

    The FTS Atomic Spectrum Tool (FAST) is an interactive graphical program designed to simplify the analysis of atomic emission line spectra obtained from Fourier transform spectrometers. Calculated, predicted and/or known experimental line parameters are loaded alongside experimentally observed spectral line profiles for easy comparison between new experimental data and existing results. Many such line profiles, which could span numerous spectra, may be viewed simultaneously to help the user detect problems from line blending or self-absorption. Once the user has determined that their experimental line profile fits are good, a key feature of FAST is the ability to calculate atomic branching fractions, transition probabilities, and oscillator strengths-and their uncertainties-which is not provided by existing analysis packages. Program SummaryProgram title: FAST: The FTS Atomic Spectrum Tool Catalogue identifier: AEOW_v1_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AEOW_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License version 3 No. of lines in distributed program, including test data, etc.: 293058 No. of bytes in distributed program, including test data, etc.: 13809509 Distribution format: tar.gz Programming language: C++. Computer: Intel x86-based systems. Operating system: Linux/Unix/Windows. RAM: 8 MB minimum. About 50-200 MB for a typical analysis. Classification: 2.2, 2.3, 21.2. Nature of problem: Visualisation of atomic line spectra including the comparison of theoretical line parameters with experimental atomic line profiles. Accurate intensity calibration of experimental spectra, and the determination of observed relative line intensities that are needed for calculating atomic branching fractions and oscillator strengths. Solution method: FAST is centred around a graphical interface, where a user may view sets of experimental line profiles and compare

  2. Veiling by lines: the new approach to interpretation of CTTS spectra.

    NASA Astrophysics Data System (ADS)

    Lamzin, Sergei; Dodin, Alexandr

    2013-07-01

    We have calculated the structure and emergent spectrum of a hot spot that appear on CTTS surface due to heating by radiation from an accretion shock. For the first time not only continuum but also line emission of the hot spot was taken into account. Our calculations confirmed hypotheis of Petrov et al. (2001), Gahm et al. (2008) and Petrov et al. (2011) that the strongest of these lines manifest themselves as narrow components of helium and metal emission lines, while the weaker ones decrease significantly the depth of photospheric absorption lines, although until now, this effect has been thought to be due to the emission continuum alone. It appeared that the relative contribution of lines to the veiling increases with decreasing accretion flux, i.e. veiling by lines is the most important for CTTSs with moderate veiled spectra. We found that neglecting the contribution of lines to the veiling can produce an appreciable errors in determining the effective temperature, interstellar extinction,radial velocity, and v sin i for CTTS. Assuming the pre-shock gas density N0 and velocity V0 to be the same at all points of the accretion stream cross section, we have calculated the spectrum of the star+circular spot system at various N0, V0, and parameters characterizing the star and the spot. Using nine stars as an example, we show that the theoretical optical spectra reproduce well the observed veiling of photospheric absorption lines in 0.4-1.2 mkm spectral band, as well as the profiles and intensities of the so-called narrow components of He II and Ca I emission lines with an appropriate choice of parameters. The accreted gas density N0 in all of the investigated stars except DK Tau has been found to be > 1e+12.

  3. K edge absorption spectra of sulphur in vapour, molecular and polymerized solid phases

    NASA Astrophysics Data System (ADS)

    Durand, J. M.; Olivier-Fourcade, J.; Jumas, J. C.; Womes, M.; Teodorescu, C. M.; Elafif, A.; Esteva, J. M.; Karnatak, R. C.

    1996-12-01

    X-ray K absorption spectra of sulphur have been studied in its vapour, molecular and polymerized solid phases. The vapour phase of sulphur containing 0953-4075/29/23/019/img11 molecules yields a K spectrum which is similar to that of the 0953-4075/29/23/019/img12 molecule. This observation suggests a 0953-4075/29/23/019/img13 ground state of 0953-4075/29/23/019/img11, which is in agreement with that obtained from optical spectra. Different line splittings in the spectra of these molecules are discussed in the light of the p orbital and s - p orbital energy differences of some second- and third-period elements. While the condensed phase spectrum of 0953-4075/29/23/019/img12 remains unchanged, the observed K spectrum of condensed 0953-4075/29/23/019/img11 differs considerably from its vapour phase. This abrupt change in the bonding between the S atoms in the condensed phase is typical behaviour of sulphur and indicates the formation of two directional covalent bonds and creation of 0953-4075/29/23/019/img17 and 0953-4075/29/23/019/img18 lone pairs. This behaviour is, in fact, a clear distinction between the chemistries of sulphur and that of its homologue oxygen. The cyclic and chain forms of sulphur show some similarity in 0953-4075/29/23/019/img19 line structure and a marked difference in their near-edge structure due to a different number of S atoms surrounding a central atom in these allotropic forms.

  4. Searching for Variability of NV Intrinsic Narrow Absorption Line Systems

    NASA Astrophysics Data System (ADS)

    Rodruck, Michael; Charlton, Jane C.; Ganguly, Rajib

    2017-01-01

    The majority of quasar absorption line systems with NV detected are found within the associated region (within 5000km/s of the quasar redshift) and many/most are believed to be related to the quasar accretion disk wind or outflows. The most definite evidence that these NV absorbers are "intrinsic" is partial covering of the quasar continuum source and/or broad line region. Over 50 quasars containing NV narrow absorption lines have observations obtained at different times with the Keck/HIRES and the VLT/UVES spectrographs at high resolution. The interval between these observations range from months to a decade in the quasar rest frame. While variability is common for intrinsic broad and mini-broad absorption lines, intrinsic narrow absorption lines have been found to be less likely to vary, though systematic studies with large, high quality datasets have been limited. The variability timescales are useful for deriving gas densities and thus the distances from the central engines. This is important in mapping the quasar surroundings, understanding the accretion disk wind mechanism, and assessing the effect the wind has on the galaxy surroundings. We report on the results of a systematic study of variability of NV NALs, exploiting the overlap of targets for observations in the archives of Keck and VLT, and discuss the consequences for interpretation of the origin of intrinsic narrow absorption lines.

  5. Electronic absorption spectra of blood plasma of patients with various forms of goiter

    NASA Astrophysics Data System (ADS)

    Ushenko, O. G.; Poliansky, I. Y.; Guminetskiy, S. G.; Motrich, A. V.; Hyrla, Ya. V.

    2012-01-01

    The results of absorption spectra of blood plasma in the ultraviolet and visible areas of the spectrum using the technique of spherical photometer. Possibilities of using these spectra to detect the diseases - diffuse toxic goiter and nodular euthyroid goiter and to control the surgical treatment of this pathology.

  6. Electronic absorption spectra of blood plasma of patients with various forms of goiter

    NASA Astrophysics Data System (ADS)

    Ushenko, O. G.; Poliansky, I. Y.; Guminetskiy, S. G.; Motrich, A. V.; Hyrla, Ya. V.

    2011-09-01

    The results of absorption spectra of blood plasma in the ultraviolet and visible areas of the spectrum using the technique of spherical photometer. Possibilities of using these spectra to detect the diseases - diffuse toxic goiter and nodular euthyroid goiter and to control the surgical treatment of this pathology.

  7. 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.

  8. Analysis of absorption and scattering spectra for assessing apple fruit internal quality after harvest and storage

    USDA-ARS?s Scientific Manuscript database

    Optical absorption and scattering properties are useful for quantifying light interaction with plant tissue, as well as for quality assessment of horticultural products. The aim of this research was to measure the absorption and reduced scattering coefficient spectra of two cultivars of apple (Malus...

  9. PG 1411 + 442 - The nearest broad absorption line quasar

    NASA Technical Reports Server (NTRS)

    Malkan, Matthew A.; Green, Richard F.; Hutchings, John B.

    1987-01-01

    IUE observations reveal strong, moderately broad absorption troughs in the blue wings of the C IV and N V emission lines of the quasar PG 1411 + 442. No absorption from weakly ionized gas is detected. The emission-line strengths and overall shape of the ultraviolet/optical/near-infrared/far-infrared continuum of the new broad absorption line quasar are within the range normally measured in quasars. Its redshift is low enough to allow the morphology of the host galaxy to be studied in deep broad-band and intermediate-band CCD images. The galaxy appears to be a large spiral with a very long arm or tail. The inclination angle is 57 deg, which rules out the possibility that the line of sight to the nucleus intersects a large path length in a galactic disk.

  10. The Extragalactic Background Light and Absorption in Gamma Ray Spectra

    NASA Astrophysics Data System (ADS)

    Gilmore, Rudy C.

    2008-03-01

    Recent state-of-the-art semi-analytic models (SAMs) can now accurately model the history of galaxy formation and evolution. These SAMs utilize a 'forward evolution' approach and include all of the important processes for determining photon emission from galaxies, such as cooling and shock heating of gas, galaxy mergers, star formation and aging, supernova and AGN feedback, and the reprocessing of light by dust. I will be presenting our group's latest prediction of the extra-galactic background light based on this work and will discuss the implications for the attenuation of VHE gamma rays from distant sources due to pair-production. These results will be compared to recent limits placed on the EBL by observations of GeV and TeV blazar spectra by experiments such as H.E.S.S., MAGIC and VERITAS. The implications for reconstructing the intrinsic spectra of distant blazars will be addressed.

  11. Electronic and oscillation absorption spectra of blood plamsa at surgical diseases of thyroid gland

    NASA Astrophysics Data System (ADS)

    Guminetskiy, S. G.; Motrich, A. V.; Poliansky, I. Y.; Hyrla, Ya. V.

    2012-01-01

    The results of investigating the absorption spectra of blood plasma in the visible and infrared parts of spectra obtained using the techniques of spherical photometer and spectrophotometric complex "Specord IR75" are presented. The possibility of using these spectra for diagnoses the cases of diffuse toxic goiter and nodular goiter and control of treatment process in postsurgical period in the cases of thyroid gland surgery is estimated.

  12. Electronic and oscillation absorption spectra of blood plamsa at surgical diseases of thyroid gland

    NASA Astrophysics Data System (ADS)

    Guminetskiy, S. G.; Motrich, A. V.; Poliansky, I. Y.; Hyrla, Ya. V.

    2011-09-01

    The results of investigating the absorption spectra of blood plasma in the visible and infrared parts of spectra obtained using the techniques of spherical photometer and spectrophotometric complex "Specord IR75" are presented. The possibility of using these spectra for diagnoses the cases of diffuse toxic goiter and nodular goiter and control of treatment process in postsurgical period in the cases of thyroid gland surgery is estimated.

  13. Infrared absorption spectra of human malignant tumor tissues

    NASA Astrophysics Data System (ADS)

    Skornyakov, I. V.; Tolstorozhev, G. B.; Butra, V. A.

    2008-05-01

    We used infrared spectroscopy methods to study the molecular structure of tissues from human organs removed during surgery. The IR spectra of the surgical material from breast, thyroid, and lung are compared with data from histological examination. We show that in malignant neoplasms, a change occurs in the hydrogen bonds of protein macromolecules found in the tissue of the studied organs. We identify the spectral signs of malignant pathology.

  14. Absorption Spectra of High-Temperature Solid Propellant Flames

    DTIC Science & Technology

    1974-08-01

    emission, was used as the calibration parameter. A Beer -Lambert type plot of the modified absorbance versus the respective specie concentration...the flame. Where P°^ is the incident radiant power at wave- length X, and P^ is the transmitted radiant power at wavelength A. Beer -Lambert type...absorption spectroscopy is based on the use of the Beer -Lambert Law, 103 P? ^n-^-»Kxce , (1) where P*J is the Incident radiant power, P^ is the

  15. 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.

  16. Ab-initio method for X-ray absorption spectra simulation of hydride molecular ions

    NASA Astrophysics Data System (ADS)

    Puglisi, Alessandra; Sisourat, Nicolas; Carniato, Stéphane

    2017-03-01

    Soft X-ray absorption spectra of molecular ions are important data for the modeling and understanding of laboratory and astrophysical plasma. In this work, we present an ab-initio method, based on the Configuration Interaction (CI) approach, for the calculations of energy positions and oscillator strengths of X-ray absorption spectra. Furthermore, we investigate the effects of the choice of the nature and number of spin-orbitals used in the CI expansion on the spectra. The method is applied on three hydride molecular ions, namely CH+, OH+ and SiH+. However, the approach proposed here is general and may thus be applied to any kind of molecular ions.

  17. Probing low-redshift galaxies using quasar absorption lines with an emphasis on Ca II absorption

    NASA Astrophysics Data System (ADS)

    Sardane, Gendith M.

    2016-05-01

    We searched for intervening CaII absorption in nearly 95,000 quasar spectra with i≤20 from the Sloan Digital Sky Survey(SDSS) data releases DR7+DR9. Our identification of >400 CaII systems is the largest compilation of CaII absorbers in a blind search. (Abstract shortened by ProQuest.).

  18. 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.

  19. Kinetics of camptothecin deactivation determined by time evolution of fluorescence and absorption spectra

    NASA Astrophysics Data System (ADS)

    Ziomkowska, Blanka; Kruszewski, Stefan; Siuda, Ryszard; Cyrankiewicz, Michal

    2004-07-01

    Fluorescence and absorption spectra of camptothecin -- anticancer alkaloid, are analyzed in this paper. Camptothecin exists in two forms: lactone and carboxylate. Only lactone form is biologically active. In physiological fluids at pH 7.4 lactone form hydrolyses and converts into carboxylate form. There are some differences in shapes between fluorescence and absorption spectra of lactone and carboxylate form. In the deactivation process fluorescence and absorption spectra evaluate. Thanks to the factor analysis of series of spectra recorded during the process of hydrolysis one can follow the concentration of both forms in the solution. Described method could be useful in determining of kinetics of deactivation process and competitive with the HPLC method.

  20. In vivo absorption spectra of the two stable states of the Euglena photoreceptor photocycle.

    PubMed

    Barsanti, Laura; Coltelli, Primo; Evangelista, Valtere; Passarelli, Vincenzo; Frassanito, Anna Maria; Vesentini, Nicoletta; Santoro, Fabrizio; Gualtieri, Paolo

    2009-01-01

    Euglena gracilis possesses a simple but sophisticated light detecting system, consisting of an eyespot formed by carotenoids globules and a photoreceptor. The photoreceptor of Euglena is characterized by optical bistability, with two stable states. In order to provide important and discriminating information on the series of structural changes that Euglena photoreceptive protein(s) undergoes inside the photoreceptor in response to light, we measured the in vivo absorption spectra of the two stable states A and B of photoreceptor photocycle. Data were collected using two different devices, i.e. a microspectrophotometer and a digital microscope. Our results show that the photocycle and the absorption spectra of the photoreceptor possess strong spectroscopic similarities with a rhodopsin-like protein. Moreover, the analysis of the absorption spectra of the two stable states of the photoreceptor and the absorption spectrum of the eyespot suggests an intriguing hypothesis for the orientation of microalgae toward light.

  1. Femtosecond Transient Absorption Spectra and Relaxation Dynamics of SWNT in SDS Micellar Solutions

    NASA Astrophysics Data System (ADS)

    Nadtochenko, V. A.; Lobach, A. S.; Gostev, F. E.; Tcherbinin, D. O.; Sobennikov, A.; Sarkisov, O. M.

    2005-09-01

    Transient absorption spectra and relaxation dynamics of excited SWNT were studied by femtosecond absorption spectroscopy as a function of: the energy of excitation quanta (ℏω = 2 eV, 2.5 eV, 4 eV); the density of the excitation energy; polarizations of the pump and probe pulses. The transient absorption spectra were monitored by white supercontinuum light pulse in the spectral region of ˜ 1.2 ÷ 3.6 eV. The induced transient absorption spectra of SWNT are considered as filling of the size-quantized energy bands with nonequilibrium carriers; renormalization of the one-dimensional energy bands at high density of the induced plasma; quantum confined Stark effect and screening of excitons. The anisotropic relaxation rate is observed.

  2. Electronic structure and TDDFT optical absorption spectra of silver nanorods.

    PubMed

    Johnson, Hannah E; Aikens, Christine M

    2009-04-23

    Density functional theory calculations are employed to determine optimized geometries and excitation spectra for small pentagonal silver nanorods Ag(n), with n = 13, 19, 25, 31, 37, 43, 49, 55, 61, and 67 in various charge states. The asymptotically correct SAOP functional is utilized in the excitation calculations. Silver nanorods exhibit a sharp longitudinal excitation that results from a mixture of orbital transitions; the wavelength for this excitation depends linearly on the length of the nanorod. The broad transverse excitation arises from multiple excited states. A particle-in-a-box model is employed to explain the linear dependence of the longitudinal excitation wavelength on nanorod length.

  3. Carbon dioxide laser absorption spectra of toxic industrial compounds.

    PubMed

    Loper, G L; Sasaki, G R; Stamps, M A

    1982-05-01

    CO(2) laser absorption cross-section data are reported for acrolein, styrene, ethyl acrylate, trichloroethylene, vinyl bromide, and vinylidene chloride. These data indicate that sub parts per billion level, interference-free detection limits should be possible for these compounds by the CO(2) laser photoacoustic technique. Photoacoustic detectabilities below 40 ppb should be possible for these compounds in the presence of ambient air concentrations of water vapor and other anticipated interferences. These compounds are also found not to be important interferences in the detection of toxic hydrazine-based rocket fuels by CO(2) laser spectroscopic techniques.

  4. A search for diffuse absorption bands in the spectra of two PPN candidate stars: HD 179821 and SAO 34504

    NASA Astrophysics Data System (ADS)

    Začs, Laimons; Schmidt, Mirek R.; Szczerba, Ryszard

    1999-07-01

    High-resolution spectra and spectral-synthesis methods have been used to search for diffuse absorption bands in two protoplanetary nebulae candidate stars HD 179821 and SAO 34504. We have found strong evidence for eight diffuse bands (5780, 5797, 5850, 6196, 6270, 6614, 6660, 6699) in HD 179821. The mean value of the heliocentric velocity (V_solar) of these bands is -11.5kms^-1, which may be compared to V_solar ~= -11kms^-1 obtained for the Nai D12 interstellar component. A feature on the red wing of the diffuse interstellar band at 5780Å is likely to have a circumstellar origin. Its Doppler velocity is close to that for one of the Nai D12 absorption components. No significant interstellar absorption bands are detected in SAO 34504. However, we have found a number of unidentified absorption features. Those at 6196, 6597 and 5780Å may be diffuse circumstellar bands blueshifted with respect to the stellar velocity derived from the photospheric absorption lines, V_solar = -39.7kms^-1, in agreement with the expansion velocity of the circumstellar remnant derived from the radio observations, V_exp ~= 10kms^-1. The Nai D12 lines for SAO34504 consist of two absorption components at V_solar ~= -13 and -49kms^-1.

  5. Analysis of the collision-induced absorption spectra in the second overtone region of H2-H2 at 298 K

    NASA Astrophysics Data System (ADS)

    Abu-Kharma, M.

    2015-02-01

    The collision-induced absorption (CIA) spectra of the second overtone band of normal hydrogen in a pure gas were recorded for a number of gas densities up to 750 amagat (1 amagat = 44.614981 mol/m3) with a two meter stainless steel absorption cell at 298 K. The profile analyses of these spectra were carried out using the Birnbaum-Cohen line shape function for the quadrupolar vibrational transitions and the Levine-Birnbaum line shape function for the overlap transitions.

  6. The Infrared Spectra and Absorption Intensities of Amorphous Ices

    NASA Astrophysics Data System (ADS)

    Gerakines, Perry A.; Hudson, Reggie L.; Loeffler, Mark

    2016-06-01

    Our research group is carrying out new IR measurements of icy solids relevant to the outer solar system and to the interstellar medium, with an emphasis on amorphous and crystalline ices below ~ 120 K. Our goal is to update and add to the relatively meager literature on this subject and to provide electronic versions of state-of-the-art data, since the abundances of such molecules cannot be deduced without accurate reference spectra and IR band strengths. In the past year, we have focused on three of the simplest and most abundant components of interstellar and solar-system ices: methane (CH4), carbon dioxide (CO2), and methanol (CH3OH). Infrared spectra from ˜ 4500 to 500 cm-1 have been measured for each of these molecules in μm-thick films at temperatures from 10 to 120 K. All known amorphous and crystalline phases have been reproduced and, for some, presented for the first time. We also report measurements of the index of refraction at 670 nm and the mass densities for each ice phase. Comparisons are made to earlier work where possible. Electronic versions of our new results are available at http://science.gsfc.nasa.gov/691/cosmicice/ constants.html.

  7. C IV LINE-WIDTH ANOMALIES: THE PERILS OF LOW SIGNAL-TO-NOISE SPECTRA

    SciTech Connect

    Denney, K. D.; Vestergaard, M.; Pogge, R. W.; Kochanek, C. S.; Peterson, B. M.; Assef, R. J.

    2013-09-20

    Comparison of six high-redshift quasar spectra obtained with the Large Binocular Telescope with previous observations from the Sloan Digital Sky Survey shows that failure to correctly identify absorption and other problems with accurate characterization of the C IV λ1549 emission line profile in low signal-to-noise (S/N) data can severely limit the reliability of single-epoch mass estimates based on the C IV emission line. We combine the analysis of these new high-quality data with a reanalysis of three other samples based on high-S/N spectra of the C IV emission line region. We find that a large scatter between the Hβ- and C IV-based masses remains even for this high-S/N sample when using the FWHM to characterize the broad-line region velocity dispersion and the standard virial assumption to calculate the mass. However, we demonstrate that using high-quality data and the line dispersion to characterize the C IV line width leads to a high level of consistency between C IV- and Hβ-based masses, with <0.3 dex of observed scatter and an estimated ∼0.2 dex intrinsic scatter, in the mass residuals.

  8. A search for weak ultraviolet interstellar absorption features in IUE spectra of Rho Ophiuchi and Zeta Ophiuchi

    NASA Technical Reports Server (NTRS)

    Welty, D. E.; Thorburn, J. A.; Hobbs, L. M.; York, D. G.

    1992-01-01

    We have applied procedures designed to reduce substantially the nonrandom, so-called 'fixed-pattern' noise present in IUE spectra to archival long-wavelength high-dispersion spectra of Rho Ophiuchi and Zeta Ophiuchi. Substantial elimination of the fixed-pattern noise via flat fielding can yield 2sigma equivalent width limits of 5-10 mA from the sum of a small number (about less than 5) of well-exposed archival spectra, and increases confidence in the reality of any weak features found. Examination of complete long-wavelength (about 2200-3250 A) spectra of these two stars has revealed, in addition to many known strong absorption lines, several lines of Fe I and Si I which had not previously been reported, as well as a small number of possible unidentified lines. We also present substantially improved upper limits to the equivalent widths of a number of other weak lines; limits an order of magnitude smaller, now achievable with the HST GHRS, should produce detections of some of these.

  9. Absorption spectra of shocked liquid CS/sub 2/

    SciTech Connect

    Dallman, J.C.

    1985-01-01

    The importance of shock initiation of high explosives (HE) was understood as early as 1863 when Alfred Nobel introduced the detonator as a means of detonating nitroglycerine. The critical pressure rise times required to achieve shock initiation and steady propagation of detonation are determined by the chemical and mechanical properties of an explosive. Although progress has been made in the understanding of the effects of mechanical properties, the detailed effects of high pressures on chemical reaction mechanisms are still only poorly understood. This paper reports the results of two experiments using CS/sub 2/, which is known to undergo electronic state transitions when shocked to high pressures. The goal of these experiments was to examine the known shock-generated expansion of CS/sub 2/ absorption bands while generating the shocks with a flyer plate system driven by high explosives.

  10. Linewidths in excitonic absorption spectra of cuprous oxide

    NASA Astrophysics Data System (ADS)

    Schweiner, Frank; Main, Jörg; Wunner, Günter

    2016-02-01

    We present a theoretical calculation of the absorption spectrum of cuprous oxide (Cu2O ) based on the general theory developed by Y. Toyozawa. An inclusion not only of acoustic phonons but also of optical phonons and of specific properties of the excitons in Cu2O like the central-cell corrections for the 1 S exciton allows us to calculate the experimentally observed linewidths in experiments by T. Kazimierczuk et al. [T. Kazimierczuk, D. Fröhlich, S. Scheel, H. Stolz, and M. Bayer, Nature (London) 514, 343 (2014), 10.1038/nature13832] within the same order of magnitude, which demonstrates a clear improvement in comparison to earlier work on this topic. We also discuss a variety of further effects, which explain the still observable discrepancy between theory and experiment but can hardly be included in theoretical calculations.

  11. Detection of water vapour absorption around 363nm in measured atmospheric absorption spectra and its effect on DOAS evaluations

    NASA Astrophysics Data System (ADS)

    Lampel, Johannes; Polyansky, Oleg. L.; Kyuberis, Alexandra A.; Zobov, Nikolai F.; Tennyson, Jonathan; Lodi, Lorenzo; Pöhler, Denis; Frieß, Udo; Platt, Ulrich; Beirle, Steffen; Wagner, Thomas

    2016-04-01

    Water vapour is known to absorb light from the microwave region to the blue part of the visible spectrum at a decreasing magnitude. Ab-initio approaches to model individual absorption lines of the gaseous water molecule predict absorption lines until its dissociation limit at 243 nm. We present first evidence of water vapour absorption at 363 nm from field measurements based on the POKAZATEL absorption line list by Polyansky et al. (2016) using data from Multi-Axis differential optical absorption spectroscopy (MAX-DOAS) and Longpath (LP)-DOAS measurements. The predicted absorptions contribute significantly to the observed optical depths with up to 2 × 10-3. Their magnitude correlates well (R2 = 0.89) to simultaneously measured well-established water vapour absorptions in the blue spectral range from 452-499 nm, but is underestimated by a factor of 2.6 ± 0.6 in the ab-initio model. At a spectral resolution of 0.5nm this leads to a maximum absorption cross-section value of 5.4 × 10-27 cm2/molec at 362.3nm. The results are independent of the employed cross-section data to compensate for the overlayed absorption of the oxygen dimer O4. The newly found absorption can have a significant impact on the spectral retrieval of absorbing trace-gas species in the spectral range around 363 nm. Its effect on the spectral analysis of O4, HONO and OClO are discussed.

  12. Simultaneous Fitting of Absorption Spectra and Their Second Derivatives for an Improved Analysis of Protein Infrared Spectra.

    PubMed

    Baldassarre, Maurizio; Li, Chenge; Eremina, Nadejda; Goormaghtigh, Erik; Barth, Andreas

    2015-07-10

    Infrared spectroscopy is a powerful tool in protein science due to its sensitivity to changes in secondary structure or conformation. In order to take advantage of the full power of infrared spectroscopy in structural studies of proteins, complex band contours, such as the amide I band, have to be decomposed into their main component bands, a process referred to as curve fitting. In this paper, we report on an improved curve fitting approach in which absorption spectra and second derivative spectra are fitted simultaneously. Our approach, which we name co-fitting, leads to a more reliable modelling of the experimental data because it uses more spectral information than the standard approach of fitting only the absorption spectrum. It also avoids that the fitting routine becomes trapped in local minima. We have tested the proposed approach using infrared absorption spectra of three mixed α/β proteins with different degrees of spectral overlap in the amide I region: ribonuclease A, pyruvate kinase, and aconitase.

  13. Simultaneous acquisition of absorption and fluorescence spectra of strong absorbers utilizing an evanescent supercontinuum.

    PubMed

    Kiefer, Johannes

    2016-12-15

    The determination of the absorption and emission spectra of strongly absorbing molecules is challenging, and the data can be biased by self-absorption of the fluorescence signal. To overcome this problem, a total internal reflection approach is proposed. The strongly absorbing sample is placed in an evanescent field of the radiation of a supercontinuum source. The collimated reflected light encodes the absorption spectrum, and the isotropic fluorescence emission is collected in a direction perpendicular to the surface at the same time. This ensures that the emitted light has a minimum possibility of self-absorption inside the sample.

  14. Measurement and feature analysis of absorption spectra of four algal species

    NASA Astrophysics Data System (ADS)

    Zhu, Jianhua; Zhou, Hongli; Han, Bing; Li, Tongji

    2017-03-01

    Two methods for particulate pigments (i.e., quantitative filter technique, QFT, and in vivo measurement, InVivo, respectively) and two methods for dissolved pigments (i.e., Acetone Extracts, AceEx, and high-performance liquid chromatography, HPLC, respectively) were used to obtain the optical absorption coefficient spectra for cultures of four typical algal species. Through normalization and analysis of the spectra, it is shown that (1) the four methods are able to measure optical absorption spectra of particulate and/or dissolved pigments; (2) that the optical absorption spectra of particulate and dissolved pigments were consistent in terms of the peak position in the blue wavelength, and the difference of the peak position in the near infrared wavelength was 10 nm between each other; and (3) that the leveling effect of the absorption spectra of particulate pigments was significant. These four methods can all effectively measure the absorption coefficients of phytoplankton pigments, while each one has its unique advantages in different applications. Therefore, appropriate method should be carefully selected for various application due to their intrinsic difference.

  15. Measurement and feature analysis of absorption spectra of four algal species

    NASA Astrophysics Data System (ADS)

    Zhu, Jianhua; Zhou, Hongli; Han, Bing; Li, Tongji

    2016-04-01

    Two methods for particulate pigments (i.e., quantitative filter technique, QFT, and in vivo measurement, InVivo, respectively) and two methods for dissolved pigments (i.e., Acetone Extracts, AceEx, and high-performance liquid chromatography, HPLC, respectively) were used to obtain the optical absorption coefficient spectra for cultures of four typical algal species. Through normalization and analysis of the spectra, it is shown that (1) the four methods are able to measure optical absorption spectra of particulate and/or dissolved pigments; (2) that the optical absorption spectra of particulate and dissolved pigments were consistent in terms of the peak position in the blue wavelength, and the difference of the peak position in the near infrared wavelength was ~10 nm between each other; and (3) that the leveling effect of the absorption spectra of particulate pigments was significant. These four methods can all effectively measure the absorption coefficients of phytoplankton pigments, while each one has its unique advantages in different applications. Therefore, appropriate method should be carefully selected for various application due to their intrinsic difference.

  16. The oxygen emission lines in Wolf-Rayet spectra

    NASA Technical Reports Server (NTRS)

    Bhatia, A. K.; Underhill, Anne B.

    1990-01-01

    The statistical equilibrium of oxygen in the line-emitting regions of WR stars is studied using the one-representative point theory of Castor and van Blerkom (1970) for a wider range of the radiation temperature, electron temperature, and electron density. Radiative processes, collisional processes, and electronic recombination are studied for a 59-level model atom. The level populations depart by large factors from those expected for LTE at the electron temperature and electron density. When the parameters have the values found previously by Bhatia and Underhill to be representative for WR stars, the oxygen atoms are strongly concentrated in the lower levels of O(2+), O(3+), and O(4+). The predicted relative energies in typical lines of O III, O IV, and O V for a solar abundance ratio of O to H are compatible with what is observed in WC and WN spectra.

  17. Metallic line doubling in the spectra of the variable RR Lyrae star

    NASA Astrophysics Data System (ADS)

    Sefyani, F. L.; Benhida, A.; Benkhaldoun, Z.; De France, T.; Gillet, D.; Mathias, P.; Lazrek, M.; Eljariri, Y.; Chafouai, K.; Daassou, A.

    2017-06-01

    We present the observation of line doubling absorption in the spectra of the RR Lyrae variable star on the metal lines of FeII (λ = 4923.921Å) as well as of D1 and D2 lines of sodium. For the emission, we observed the lines of hydrogen Hα and Hβ with a very high intensity and the two lines of HeI (λ = 5875.66 Å and λ = 6678.15Å). This transmission/helium I remission [1, 2] is directly related to the intensity of the shock wave through the atmosphere of the star during the phase of maximum Blazhko cycle [3]. During the expansion phase of the photosphere of the star and during the passage of the shock wave we witnessed a disappearance of the absorption lines of neutral FeI (λ = 4934.006Å and λ = 4920.503Å) and their reappearance in phase 1.00. These observations were made with a spectrograph resolution scale of about 12,000 installed on the C14 telescope at the Oukaimeden observatory (J43) during the different star pulsation cycle. We noticed that some of them almost coincide with the maximum Blazhko cycle. The doubling line were interpreted by Schwarzschild [4] on the basis of a two-layer atmosphere. This interpretation could measure the speed of the shock wave derived from the difference between the two red and blue spectral components on Hα hydrogen lines, D3 helium, D1 and D2 lines of sodium and FeII during the observed doubling of lines. At phase 1.00, the shock wave reached the maximum speed of 160 km.s-1 confirming the hypersonic regime occur during this maximum Blazhko cycle.

  18. Spectral line shapes in linear absorption and two-dimensional spectroscopy with skewed frequency distributions

    NASA Astrophysics Data System (ADS)

    Farag, Marwa H.; Hoenders, Bernhard J.; Knoester, Jasper; Jansen, Thomas L. C.

    2017-06-01

    The effect of Gaussian dynamics on the line shapes in linear absorption and two-dimensional correlation spectroscopy is well understood as the second-order cumulant expansion provides exact spectra. Gaussian solvent dynamics can be well analyzed using slope line analysis of two-dimensional correlation spectra as a function of the waiting time between pump and probe fields. Non-Gaussian effects are not as well understood, even though these effects are common in nature. The interpretation of the spectra, thus far, relies on complex case to case analysis. We investigate spectra resulting from two physical mechanisms for non-Gaussian dynamics, one relying on the anharmonicity of the bath and the other on non-linear couplings between bath coordinates. These results are compared with outcomes from a simpler log-normal dynamics model. We find that the skewed spectral line shapes in all cases can be analyzed in terms of the log-normal model, with a minimal number of free parameters. The effect of log-normal dynamics on the spectral line shapes is analyzed in terms of frequency correlation functions, maxline slope analysis, and anti-diagonal linewidths. A triangular line shape is a telltale signature of the skewness induced by log-normal dynamics. We find that maxline slope analysis, as for Gaussian dynamics, is a good measure of the solvent dynamics for log-normal dynamics.

  19. Metal-line absorption at Zabs approximately Zem from associated galaxies

    NASA Astrophysics Data System (ADS)

    Ellingson, E.; Yee, H. K. C.; Bechtold, Jill; Dobrzycki, Adam

    1994-04-01

    For a preliminary study of whether C IV absorption at Zabs approximately Zem is related to associated galaxy companions, we have collected data from a sample of 10 quasars with 0.15 less than z less than 0.65 for which high-resolution optical and UV spectroscopy is available from the literature, and for which we have deep optical images and limited spectroscopy. We also present new optical spectra for two of our samples. Four of these quasars have associated C IV absorption systems. In thes four fields, there are eight galaxies with Mr less than -19.0 mag within 35 kpc of the quasar (projected distance, assuming they are at the quasar redshift), which may be candidates for the associated C IV absorption. This observed density of galaxies near quasars with associated C IV absorption is significantly greater than that for a control sample of quasars chosen from the literature. This result suggests that galaxies near the quasar line of sight may be linked with associated C IV absorption. None of these quasars show associated Mg II absorption, despite the presence of galaxies very near the line of sight, suggesting a Mg II 'proximity effect,' where ionizing flux from the quasar destroys the Mg(+) from at least the outer parts of the galaxies. Three quasars are located in rich galaxy clusters, but none of these quasars are found to have associated C IV absorption. This suggests that galaxies in rich clusters associated with quasars are less likely to be metal-line absorbers. It is plausible that the extended galaxy halos which may be responsible for the absorptions are stripped from galaxies in these dense environments. While it seems that at Z approximately 0.6 rich clusters do not cause them, associated C IV absorption systems at higher redshift may be explained by associated clusters if there has been evolution in the properties of galaxy halos in dense environments.

  20. Line intensity enhancements in stellar coronal X-ray spectra due to opacity effects

    NASA Astrophysics Data System (ADS)

    Rose, S. J.; Matranga, M.; Mathioudakis, M.; Keenan, F. P.; Wark, J. S.

    2008-06-01

    Context: The I(15.01 Å)/I(16.78 Å) emission line intensity ratio in Fe xvii has been reported to deviate from its theoretical value in solar and stellar X-ray spectra. This is attributed to opacity in the 15.01 Å line, leading to a reduction in its intensity, and was interpreted in terms of a geometry in which the emitters and absorbers are spatially distinct. Aims: We study the I(15.01 Å)/I(16.78 Å) intensity ratio for the active cool dwarf EV Lac, in both flare and quiescent spectra. Methods: The observations were obtained with the Reflection Grating Spectrometer on the XMM-Newton satellite. The emission measure distribution versus temperature reconstruction technique is used for our analysis. Results: We find that the 15.01 Å line exhibits a significant enhancement in intensity over the optically thin value. To our knowledge, this is the first time that such an enhancement has been detected on such a sound statistical basis. We interpret this enhancement in terms of a geometry in which the emitters and absorbers are not spatially distinct, and where the geometry is such that resonant pumping of the upper level has a greater effect on the observed line intensity than resonant absorption in the line-of-sight.

  1. A NON-ISOTHERMAL THEORY FOR INTERPRETING SODIUM LINES IN TRANSMISSION SPECTRA OF EXOPLANETS

    SciTech Connect

    Heng, Kevin; Lavie, Baptiste; Wyttenbach, Aurélien; Ehrenreich, David; Lovis, Christophe; Sing, David K.

    2015-04-10

    We present a theory for interpreting the sodium lines detected in transmission spectra of exoplanetary atmospheres. Previous analyses employed the isothermal approximation and dealt only with the transit radius. By recognizing the absorption depth and the transit radius as being independent observables, we develop a theory for jointly interpreting both quantities, which allows us to infer the temperatures and number densities associated with the sodium lines. We are able to treat a non-isothermal situation with a constant temperature gradient. Our novel diagnostics take the form of simple-to-use algebraic formulae and require measurements of the transit radii (and their corresponding absorption depths) at line center and in the line wing for both sodium lines. We apply our diagnostics to the HARPS data of HD 189733b, confirm the upper atmospheric heating reported by Huitson et al., derive a temperature gradient of 0.4376 ± 0.0154 K km{sup −1}, and find densities ∼1–10{sup 4} cm{sup −3}.

  2. The Redshift Dependence of Gamma-Ray Absorption in the Environments of Strong-Line AGNs

    SciTech Connect

    Reimer, A.; /Stanford U., HEPL /KIPAC, Menlo Park

    2007-11-12

    The case of {gamma}-ray absorption due to photon-photon pair production of jet photons in the external photon environments, such as the accretion disk and the broad-line region radiation fields, of {gamma}-ray--loud active galactic nuclei (AGNs) that exhibit strong emission lines is considered. I demonstrate that this 'local opacity,' if detected, will almost unavoidably be redshift-dependent in the sub-TeV range. This introduces nonnegligible biases and complicates approaches for studying the evolution of the extragalactic background light with contemporary GeV instruments such as the Gamma-Ray Large Area Space Telescope (GLAST ), where the {gamma}-ray horizon is probed by means of statistical analysis of absorption features (e.g., the Fazio-Stecker relation) in AGN spectra at various redshifts. It particularly applies to strong-line quasars, where external photon fields are potentially involved in {gamma}-ray production.

  3. Radiation pressure confinement - IV. Application to broad absorption line outflows

    NASA Astrophysics Data System (ADS)

    Baskin, Alexei; Laor, Ari; Stern, Jonathan

    2014-12-01

    A fraction of quasars present broad absorption lines, produced by outflowing gas with typical velocities of 3000-10 000 km s-1. If the outflowing gas fills a significant fraction of the volume where it resides, then it will be highly ionized by the quasar due to its low density, and will not produce the observed UV absorption. The suggestion that the outflow is shielded from the ionizing radiation was excluded by recent observations. The remaining solution is a dense outflow with a filling factor f < 10-3. What produces such a small f? Here, we point out that radiation pressure confinement (RPC) inevitably leads to gas compression and the formation of dense thin gas sheets/filaments, with a large gradient in density and ionization along the line of sight. The total column of ionized dustless gas is a few times 1022 cm-2, consistent with the observed X-ray absorption and detectable P V absorption. The predicted maximal columns of various ions show a small dependence on the system parameters, and can be used to test the validity of RPC as a solution for the overionization problem. The ionization structure of the outflow implies that if the outflow is radiatively driven, then broad absorption line quasars should have L/L_Eddgtrsim 0.1.

  4. Separation of scattering and absorption contributions in UV/visible spectra of resonant systems.

    PubMed

    Micali, N; Mallamace, F; Castriciano, M; Romeo, A; Scolaro, L M

    2001-10-15

    Resonance light scattering (RLS) is a phenomenon due to an enhancement of the scattered light in close proximity to an absorption band. The effect is easily detectable in the case of strongly absorbing chromophores, which are able to interact, thus leading to large aggregates (Pasternack, R. F.; Collings, P. J. Science 1995, 269, 935). The measurement of absorption spectra from solutions containing such resonant systems can lead to misleading results. In this paper, a simple method is described to obtain absorption spectra of aggregated species with a fairly good correction of the scattering component. The RLS spectrum, obtained using a common spectrofluorimeter, is correlated to the extinction spectrum of the same sample, allowing for an estimation of the scattering contribution to the total extinction spectrum. The method has been successfully applied both on real samples containing aggregated chromophores, such as porphyrins, chlorophyll a and gold colloids, and by simulating extinction spectra.

  5. Redshifted 21cm Line Absorption by Intervening Galaxies

    NASA Astrophysics Data System (ADS)

    Briggs, F. H.

    The present generation of radio telescopes, combined with powerful new spectrometers, is opening a new age of redshifted radio absorption-line studies. Out-fitting of arrays of antennas, such as the European VLBI Network and the upgraded VLA, with flexibly tuned receivers, will measure sizes and kinematics of intervening galaxies as a function of cosmic time.

  6. Research on the Terahertz Absorption Spectra of Histidine Enantiomer (L) and its Racemic Compound (DL).

    PubMed

    Zhou, Tao; Wu, Yidong; Cao, Juncheng; Zou, Liangliang; Yuan, Jie; Yao, Zhenwei; Xu, Gongjie

    2017-02-01

    Terahertz time-domain spectroscopy (THz-TDS) is used to investigate the absorption spectra of polycrystalline L- and DL-histidine in the frequency range of 10-100 cm(-1). The spectra exhibit distinct differences in peak frequencies between the enantiomer (L-histidine) and racemic compound (DL-histidine). The observed spectral differences are attributed to the intermolecular interactions. With the density function theory (DFT) method, the frequencies of vibrational modes of L-histidine and DL-histidine in the THz range are calculated and well assigned according to the measured spectra. The origin of the observed vibrational modes is found to be non-localized and of a collective (phonon-like) nature, which points to the lattice and skeleton vibrations mediated by the hydrogen bond. Furthermore, we propose and demonstrate a method for determining the composition ratio of histidine mixtures based on the THz absorption spectra.

  7. 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.

  8. THE STRUCTURE OF THE ULTRAVIOLET ABSORPTION SPECTRA OF CERTAIN PROTEINS AND AMINO ACIDS

    PubMed Central

    Coulter, Calvin B.; Stone, Florence M.; Kabat, Elvin A.

    1936-01-01

    1. The absorption spectra of a number of proteins in the region 2500 to 3000 A. have been found to comprise from six to nine narrow bands. In consequence of variation in the relative intensity of these bands from protein to protein, the absorption curve has a characteristic configuration for each protein. 2. These bands correspond closely in position with the narrow bands which appear in the absorption spectra of tryptophan, tyrosin, and phenylalanine. Tryptophan and tyrosin each present three bands, phenylalanine shows nine. 3. The bands in the proteins are accordingly attributed to these amino acids. In the proteins the bands are displaced from the positions which they occupy in the uncombined amino acids, in most instances, by 10 to 35 A. toward longer wavelengths. 4. The absorption spectrum of Pneumococcus Type I antibody resembles that of normal pseudoglobulin but shows characteristic differences. PMID:19872958

  9. Theoretical analysis of electronic absorption spectra of vitamin B12 models

    NASA Astrophysics Data System (ADS)

    Andruniow, Tadeusz; Kozlowski, Pawel M.; Zgierski, Marek Z.

    2001-10-01

    Time-dependent density-functional theory (TD-DFT) is applied to analyze the electronic absorption spectra of vitamin B12. To accomplish this two model systems were considered: CN-[CoIII-corrin]-CN (dicyanocobinamide, DCC) and imidazole-[CoIII-corrin]-CN (cyanocobalamin, ImCC). For both models 30 lowest excited states were calculated together with transition dipole moments. When the results of TD-DFT calculations were directly compared with experiment it was found that the theoretical values systematically overestimate experimental data by approximately 0.5 eV. The uniform adjustment of the calculated transition energies allowed detailed analysis of electronic absorption spectra of vitamin B12 models. All absorption bands in spectral range 2.0-5.0 eV were readily assigned. In particular, TD-DFT calculations were able to explain the origin of the shift of the lowest absorption band caused by replacement of the-CN axial ligand by imidazole.

  10. Infrared absorption spectra of vinyl radicals isolated in solid Ne

    SciTech Connect

    Wu Yujong; Lin Mengyeh; Cheng Bingming; Chen Huifen; Lee Yuanpern

    2008-05-28

    Irradiation of samples of solid Ne near 3.0 K containing ethene (C{sub 2}H{sub 4}) with vacuum ultraviolet radiation at 120 nm from synchrotron yielded new spectral lines at 3141.0, 2953.6, 2911.5, 1357.4, 677.1, 895.3, and 857.0 cm{sup -1}. These features are assigned to {alpha}-CH stretching ({nu}{sub 1}), CH{sub 2} antisymmetric stretching ({nu}{sub 2}), CH{sub 2} symmetric stretching ({nu}{sub 3}), CH{sub 2}-bending ({nu}{sub 5}), HCCH cis bending ({nu}{sub 7}), CH{sub 2} out-of-plane bending ({nu}{sub 8}), and {alpha}-CH out-of-plane bending ({nu}{sub 9}) modes of C{sub 2}H{sub 3}, respectively, based on results of {sup 13}C- and D-isotopic experiments and quantum-chemical calculations. These calculations using density-functional theory (B3LYP and PW91PW91/aug-cc-pVTZ) predict vibrational wavenumbers, IR intensities, and isotopic ratios of vinyl radical that agree satisfactorily with our experimental results.

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

    SciTech Connect

    Gambarini, Grazia; Artuso, Emanuele; Liosi, Giulia Maria; Giacobbo, Francesca; Mariani, Mari; Brambilla, Luigi; Castiglioni, Chiara; Carrara, Mauro; Pignoli, Emanuele

    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 the apparent threshold dose that was frequently evidenced. (authors)

  12. The D2O absorption spectra in the treatment surfaces SiO2 airgel

    NASA Astrophysics Data System (ADS)

    Sinitsa, L.; Lugovskoi, A.

    2014-11-01

    The D2O absorption spectra adsorbed on the nanoporous airgel SiO2 walls in the spectral range 4200 ... 5400 cm-1 are recorded. Two types of sample with pores of 60 nm wide - the nitrogen gas-treated and untreated airgels were examined. The untreated sample was prolonged evacuation and filling by the D2O saturated vapor. The nitrogen gas-treated sample was short-time pumping, accompanied by treatment with dry nitrogen, and re- lapping by the saturated vapor. As a result, the recorded absorption spectra were shown the changes the hydrophilic properties of the nanopores walls by modernity surface in the presence of nitrogen.

  13. 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

  14. A novel acoustic sensor approach to classify seeds based on sound absorption spectra.

    PubMed

    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.

  15. Analysis of time evolution of fluorescence and absorption spectra of camptothecins

    NASA Astrophysics Data System (ADS)

    Ziomkowska, Blanka; Kruszewski, Stefan; Siuda, Ryszard; Cyrankiewicz, Michal

    2004-08-01

    Camptothecins, fluorescent anticancer agents, exhibit at neutral and physiological pH changes over time in absorption and fluorescence spectra. Analysis of these changes is a subject of this paper. Factor analysis of fluorescence spectra enabled to determine the kinetics of hydrolysis of camptothecin, i.e. the rate of converting of biologically active lactone form into inactive carboxylate. Obtained results are compared with HPLC data.

  16. 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.

  17. a Theoretical Model for Wide-Band Infrared-Absorption Molecular Spectra at any Pressure: Fiction or Reality?

    NASA Astrophysics Data System (ADS)

    Buldyreva, Jeanna; Vander Auwera, Jean

    2014-06-01

    Various atmospheric applications require modeling of infrared absorption by the main atmospheric species in wide ranges of frequencies, pressures and temperatures. For different pressure regimes, different mechanisms are responsible for the observed intensities of vibration-rotation line manifolds, and the structure of the bands changes drastically when going from low to high densities. Therefore, no universal theoretical model exists presently to interpret simultaneously collapsed band-shapes observed at very high pressures and isolated-line shapes recorded in sub-atmospheric regimes. Using CO_2 absorption spectra as an example, we introduce some improvements in the non-Markovian Energy-Corrected Sudden model, developed for high-density spectra of arbitrary tensorial rank and generalized recently to parallel and perpendicular infrared absorption bands, and test the applicability of this approach for the case of nearly Doppler pressure regime via comparisons with recently recorded experimental intensities. J.V. Buldyreva and L. Bonamy, Phys. Rev. A 60(1), 370-376 (1999). J. Buldyreva and L. Daneshvar, J. Chem. Phys. 139, 164107 (2013). L. Daneshvar, T. Földes, J. Buldyreva, J. Vander Auwera, J. Quant. Spectrosc. Radiat. Transfer 2014 (to be submitted).

  18. Recovering Interstellar Gas Properties with Hi Spectral Lines: A Comparison between Synthetic Spectra and 21-SPONGE

    NASA Astrophysics Data System (ADS)

    Murray, Claire E.; Stanimirović, Snežana; Kim, Chang-Goo; Ostriker, Eve C.; Lindner, Robert R.; Heiles, Carl; Dickey, John M.; Babler, Brian

    2017-03-01

    We analyze synthetic neutral hydrogen (H i) absorption and emission spectral lines from a high-resolution, three-dimensional hydrodynamical simulation to quantify how well observational methods recover the physical properties of interstellar gas. We present a new method for uniformly decomposing H i spectral lines and estimating the properties of associated gas using the Autonomous Gaussian Decomposition (AGD) algorithm. We find that H i spectral lines recover physical structures in the simulation with excellent completeness at high Galactic latitude, and this completeness declines with decreasing latitude due to strong velocity-blending of spectral lines. The temperature and column density inferred from our decomposition and radiative transfer method agree with the simulated values within a factor of < 2 for the majority of gas structures. We next compare synthetic spectra with observations from the 21-SPONGE survey at the Karl G. Jansky Very Large Array using AGD. We find more components per line of sight in 21-SPONGE than in synthetic spectra, which reflects insufficient simulated gas scale heights and the limitations of local box simulations. In addition, we find a significant population of low-optical depth, broad absorption components in the synthetic data which are not seen in 21-SPONGE. This population is not obvious in integrated or per-channel diagnostics, and reflects the benefit of studying velocity-resolved components. The discrepant components correspond to the highest spin temperatures (1000< {T}s< 4000 {{K}}), which are not seen in 21-SPONGE despite sufficient observational sensitivity. We demonstrate that our analysis method is a powerful tool for diagnosing neutral interstellar medium conditions, and future work is needed to improve observational statistics and implementation of simulated physics.

  19. Diagnosis of core-shell mixing with absorption and emission spectra of a doped layer. Final technical report

    SciTech Connect

    1998-04-01

    Shell-core mixing which can occur during the deceleration phase of laser-driven implosion is believed to be the major limitation on target performance. The authors proposed a diagnostic method for detecting core-shell mixing based on the comparison of absorption and emission spectra due to a signature layer embedded in the target shell. Experimentally the method is simple as it does not require backlighting nor imaging. They have developed a mixing and radiation transport model used here to demonstrate the proposed diagnostic method. The proposal consists of target experiments on OMEGA as well as the interpretation and analysis of these experiments. They show that a signature layer of a high-Z dopant can be placed within the shell such that, in the absence of mixing, the emergent spectrum will only show absorption lines (of L-shell ionic species). Mixing causes the appearance of K-shell lines in emission. The more severe the mixing, the higher is the intensity of emission lines, as compared with that of the absorption lines. Modeling results are presented to demonstrate a numerical analysis of doped target experiments carried out on OMEGA.

  20. Polarization and Structure of Broad Absorption Line Quasi-Stellar Objects

    NASA Astrophysics Data System (ADS)

    Ogle, Patrick Michael

    This thesis is a spectropolarimetric survey of broad absorption line quasi-stellar objects (BAL QSO). We observed 36 BAL QSO at the Palomar and W. M. Keck Observatories. BAL QSO have higher polarization than other quasars, reinforcing the view that they are normal quasars viewed from an equatorial aspect. However, there is a wide distribution of polarization values, which may be due to intrinsic differences in the geometry or optical depth to scattering. No correlations are found among emission line or broad absorption line properties and continuum polarization, suggesting that these properties are regulated by internal differences unrelated to viewing angle. The continuum polarization of BAL QSO is weakly wavelength-dependent after correction for emission line dilution. In most objects, the polarisation rises to the blue, suggesting that dust scattering or absorption may be important. Broad emission line photons are polarized less than the continuum; and the position angle of the electric vector is rotated with respect to the continuum. The semi-forbidden C III) emission line is polarized differently than the C IV emission line, suggesting resonance scattering in the C III) emission line region. Resonantly scattered photons from the broad absorption line region are detected at high velocities red-ward and blue-ward of the C IV line center in the spectra of some objects. These photons are negatively polarized with respect to the continuum photons, showing that the broad absorption line region and the continuum scattering region are oriented perpendicular to each other. The polarization increases in the BAL troughs, due mainly to partial coverage of the central source by the broad absorption line region. The geometry of the intervening BAL clouds is skewed with respect to the continuum scattering region, which results in position angle rotations in the BAL. The variation of polarization with velocity in the BAL is consistent with a non-radial, accelerating outflow

  1. A Comprehensive Study of Broad Absorption Line Quasars. I. Prevalence of HeI* Absorption Line Multiplets in Low-ionization Objects

    NASA Astrophysics Data System (ADS)

    Liu, Wen-Juan; Zhou, Hongyan; Ji, Tuo; Yuan, Weimin; Wang, Ting-Gui; Jian, Ge; Shi, Xiheng; Zhang, Shaohua; Jiang, Peng; Shu, Xinwen; Wang, Huiyuan; Wang, Shu-Fen; Sun, Luming; Yang, Chenwei; Liu, Bo; Zhao, Wen

    2015-03-01

    Neutral helium multiplets, He i* λ λ 3189,3889,10830, are very useful diagnostics for the geometry and physical conditions of the absorbing gas in quasars. So far only a handful of He i* detections have been reported. Using a newly developed method, we detected the He i*λ 3889 absorption line in 101 sources of a well-defined sample of 285 Mg ii broad absorption line (BAL) quasars selected from SDSS DR5. This has increased the number of He i* BAL quasars by more than one order of magnitude. We further detected He i*λ 3189 in 50% (52/101) of the quasars in the sample. The detection fraction of He i* BALs in Mg ii BAL quasars is ∼35% as a whole, and it increases dramatically with increasing spectral signal-to-noise ratio (S/N), from ∼18% at S/N ≤slant 10 to ∼93% at S/N ≥slant 35. This suggests that He i* BALs could be detected in most Mg ii LoBAL quasars, provided the spectra S/N is high enough. Such a surprisingly high He i* BAL fraction is actually predicted from photoionization calculations based on a simple BAL model. The result indicates that He i* absorption lines can be used to search for BAL quasars at low z, which cannot be identified by ground-based optical spectroscopic surveys with commonly seen UV absorption lines. Using He i* λ3889, we discovered 19 BAL quasars at z\\lt 0.3 from the available SDSS spectral database. The fraction of He i* BAL quasars is similar to that of LoBAL objects.

  2. High-Velocity Absorption Features in FUSE Spectra of Eta Carinae

    NASA Technical Reports Server (NTRS)

    Sonneborn, G.; Iping, R. C.; Gull, T. R.; Vieira, G.

    2003-01-01

    Numerous broad (200 to 1000 km/sec) features in the FUSE spectrum (905-1187 A) of eta Carinae are identified as absorption by a forest of high-velocity narrow lines formed in the expanding circumstellar envelope. These features were previously thought to be P-Cygni lines arising in the wind of the central star. The features span a heliocentric velocity range of -140 to -580 km/sec and are seen prominently in low-ionization ground-state transitions (e.g. N I 1134-35, Fe II 1145-42, 1133, 1127- 22, P II 1153, C I 1158) in addition to C III] 1176 A. The high-velocity components of the FUSE transitions have depths about 50% below the continuum. The identifications are consistent with the complex velocity structures seen in ground- and excited-state transitions of Mg I, Mg 11, Fe II, V II, etc observed in STIS/E230H spectra. The origin of other broad features of similar width and depth in the FUSE spectrum, but without low-velocity ISM absorption, are unidentified. However, they are suspected of being absorption of singly-ionized iron-peak elements (e.g. Fe II, V II, Cr II) out of excited levels 1,000 to 20,000 cmE-l above the ground state. The high-velocity features seen in Fe II 1145 are also present in Fe II 1608 (STIS/E140M), but are highly saturated in the latter. Since these transitions have nearly identical log (flambda) (1.998 vs. 2.080), the differences in the profiles are attributable to the different aperture sizes used (30 x 30 arcsec for FUSE, 0.2 x 0.2 arcsec for STIS/E140M). The high-velocity gas appears to be very patchy or has a small covering factor near the central star. Eta Carinae has been observed several times by FUSE over the past three years. The FUSE flux levels and spectral features in eta Car are essentially unchanged over the 2000 March to June 2002 period, establishing a baseline far-UV spectrum in advance of the predicted spectroscopic minimum in 2003.

  3. High-Velocity Absorption Features in FUSE Spectra of Eta Carinae

    NASA Technical Reports Server (NTRS)

    Sonneborn, G.; Iping, R. C.; Gull, T. R.; Vieira, G.

    2003-01-01

    Numerous broad (200 to 1000 km/sec) features in the FUSE spectrum (905-1187 A) of eta Carinae are identified as absorption by a forest of high-velocity narrow lines formed in the expanding circumstellar envelope. These features were previously thought to be P-Cygni lines arising in the wind of the central star. The features span a heliocentric velocity range of -140 to -580 km/sec and are seen prominently in low-ionization ground-state transitions (e.g. N I 1134-35, Fe II 1145-42, 1133, 1127- 22, P II 1153, C I 1158) in addition to C III] 1176 A. The high-velocity components of the FUSE transitions have depths about 50% below the continuum. The identifications are consistent with the complex velocity structures seen in ground- and excited-state transitions of Mg I, Mg 11, Fe II, V II, etc observed in STIS/E230H spectra. The origin of other broad features of similar width and depth in the FUSE spectrum, but without low-velocity ISM absorption, are unidentified. However, they are suspected of being absorption of singly-ionized iron-peak elements (e.g. Fe II, V II, Cr II) out of excited levels 1,000 to 20,000 cmE-l above the ground state. The high-velocity features seen in Fe II 1145 are also present in Fe II 1608 (STIS/E140M), but are highly saturated in the latter. Since these transitions have nearly identical log (flambda) (1.998 vs. 2.080), the differences in the profiles are attributable to the different aperture sizes used (30 x 30 arcsec for FUSE, 0.2 x 0.2 arcsec for STIS/E140M). The high-velocity gas appears to be very patchy or has a small covering factor near the central star. Eta Carinae has been observed several times by FUSE over the past three years. The FUSE flux levels and spectral features in eta Car are essentially unchanged over the 2000 March to June 2002 period, establishing a baseline far-UV spectrum in advance of the predicted spectroscopic minimum in 2003.

  4. What sodium absorption lines tell us about Type Ia supernovae

    NASA Astrophysics Data System (ADS)

    Soker, Noam

    2014-10-01

    We propose that the sodium responsible for the variable Na ID absorption lines in some Type Ia supernovae (SN Ia) originate mainly from dust residing at ˜1 pc from the supernovae. In this Na-from-dust absorption (NaDA) model, the process by which the SN Ia peak luminosity releases sodium from dust at ˜1 pc from the SN is similar to the processes by which solar radiation releases sodium from cometary dust when comets approach a distance of ≲ 1 au from the Sun. The dust grains are not sublimated but rather stay intact, and release sodium by photon-stimulated desorption (or photosputtering). Some of the Na might start in the gas phase before the explosion. Weakening in absorption strength is caused by Na-ionizing radiation of the SN. We apply the NaDA model to SN 2006X and SN 2007le, and find it to comply better with the observed time variability of the Na ID absorption lines than the Na recombination model. The mass in the dusty shell of the NaDA model is much too high to be accounted for in the single-degenerate scenario for SN Ia. Therefore, the presence of variable Na ID lines in some SN Ia further weakens the already very problematic single-degenerate scenario for SN Ia.

  5. Line shape analysis of two-dimensional infrared spectra

    PubMed Central

    Guo, Qi; Pagano, Philip; Li, Yun-Liang; Kohen, Amnon; Cheatum, Christopher M.

    2015-01-01

    Ultrafast two-dimensional infrared (2D IR) spectroscopy probes femtosecond to picosecond time scale dynamics ranging from solvation to protein motions. The frequency-frequency correlation function (FFCF) is the quantitative measure of the spectral diffusion that reports those dynamics and, within certain approximations, can be extracted directly from 2D IR line shapes. A variety of methods have been developed to extract the FFCF from 2D IR spectra, which, in principle, should give the same FFCF parameters, but the complexity of real experimental systems will affect the results of these analyses differently. Here, we compare five common analysis methods using both simulated and experimental 2D IR spectra to understand the effects of apodization, anharmonicity, phasing errors, and finite signal-to-noise ratios on the results of each of these analyses. Our results show that although all of the methods can, in principle, yield the FFCF under idealized circumstances, under more realistic experimental conditions they behave quite differently, and we find that the centerline slope analysis yields the best compromise between the effects we test and is most robust to the distortions that they cause. PMID:26049447

  6. Simulation of the ?-? absorption and emission spectra of the SiCCl radical

    NASA Astrophysics Data System (ADS)

    Mitrushchenkov, Alexander O.; Brites, Vincent; Léonard, Céline

    2015-07-01

    The potential energy surface of the ? state and the ? transition dipole moments of the SiCCl radical have been calculated ab initio using multireference configuration interaction approaches. The rovibrational states of the ? state have been computed with the EVEREST code and, together with the previously calculated rovibronic states of the ? electronic ground state, have been used to produce absorption and emission spectra. The simulated emission spectra compare very well with the experimental laser-induced fluorescence spectra. The assignment of the rovibronic energies of the Renner-Teller ? electronic ground state has been completed.

  7. Absorption spectra and spectral-kinetic characteristics of the fluorescence of Sanguinarine in complexes with polyelectrolytes and DNA

    NASA Astrophysics Data System (ADS)

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

    2010-07-01

    The absorption spectra and stationary and time resolved fluorescence spectra of the isoquinoline alkaloid sanguinarine are studied in aqueous media and during interactions with synthetic polyelectrolytes (polystyrene sulfonate and polyallylamine) and a natural polyelectrolyte (DNA).

  8. H{beta} LINE WIDTHS AS AN ORIENTATION INDICATOR FOR LOW-IONIZATION BROAD ABSORPTION LINE QUASARS

    SciTech Connect

    Punsly, Brian; Zhang Shaohua E-mail: brian.punsly@comdev-usa.co

    2010-12-20

    There is evidence from radio-loud quasars to suggest that the distribution of the H{beta} broad emission line (BEL) gas is arranged in a predominantly planar orientation, and this result may well also apply to radio-quiet quasars. This would imply that the observed FWHM of the H{beta} BELs is dependent on the orientation of the line of sight to the gas. If this view is correct then we propose that the FWHM can be used as a surrogate, in large samples, to determine the line of sight to the H{beta} BELs in broad absorption line quasars (BALQSOs). The existence of broad UV absorption lines (BALs) means that the line of sight to BALQSOs must also pass through the BAL out-flowing gas. It is determined that there is a statistically significant excess of narrow-line profiles in the SDSS DR7 archival spectra of low-ionization broad absorption line quasars (LoBALQSOs), indicating that BAL gas flowing close to the equatorial plane does not commonly occur in these sources. We also find that the data is not well represented by random lines of sight to the BAL gas. Our best fit indicates two classes of LoBALQSOs, the majority ({approx}2/3) are polar outflows that are responsible for the enhanced frequency of narrow-line profiles, and the remainder are equatorial outflows. We further motivated the line of sight explanation of the narrow-line excess in LoBALQSOs by considering the notion that the skewed distribution of line profiles is driven by an elevated Eddington ratio in BALQSOs. We constructed a variety of control samples comprised of non-LoBALQSOs matched to a de-reddened LoBALQSO sample in redshift, luminosity, black hole mass, and Eddington ratio. It is demonstrated that the excess of narrow profiles persists within the LoBALQSO sample relative to each of the control samples with no reduction of the statistical significance. Thus, we eliminate the possibility that the excess narrow lines seen in the LoBALQSOs arise from an enhanced Eddington ratio.

  9. [High-order derivative spectroscopy of infrared absorption spectra of the reaction centers from Rhodobacter sphaeroides].

    PubMed

    2005-01-01

    The infrared absorption spectra of reduced and chemically oxidized reaction center preparations from the purple bacterium Rhodobacter sphaeroides were investigated by means of high-order derivative spectroscopy. The model Gaussian band with a maximum at 810 nm and a half-band of 15 nm found in the absorption spectrum of the reduced reaction center preparation is eliminated after the oxidation of photoactive bacteriochlorophyll dimer (P). This band was related to the absorption of the P(+)y excitonic band of P. On the basis of experimental results, it was concluded that the bleaching of the P(+)y absorption band at 810 nm in the oxidized reaction center preparations gives the main contribution to the blue shift of the 800 nm absorption band of Rb. sphaeroides reaction centers.

  10. Interstellar absorption in the Mg II resonance line k2 and h2 emissions

    NASA Technical Reports Server (NTRS)

    Boehm-Vitense, E.

    1981-01-01

    High-resolution (0.2 A) IUE spectra for the long wavelength range (1800-3000 A) have been studied. It is shown that narrow interstellar Mg II lines are seen in the center of the k2 and h2 emissions from nearby stars with large rotational velocities. For all observed stars, the radial velocity of the central k3 absorption component in the rest system of the star is strongly correlated with the mirror image of the radial velocity of the stars; this shows that a major fraction if not all of the k3 absorption is due to interstellar absorption in the solar neighborhood. The violet to red asymmetry of the k2 emission also correlates with the radial velocities of the star; this shows that the shift of k3 is due to the velocity shift of the local interstellar cloud with respect to the star.

  11. 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.

  12. X-ray-selected broad absorption line quasi-stellar objects

    NASA Astrophysics Data System (ADS)

    Page, M. J.; Carrera, F. J.; Ceballos, M.; Corral, A.; Ebrero, J.; Esquej, P.; Krumpe, M.; Mateos, S.; Rosen, S.; Schwope, A.; Streblyanska, A.; Symeonidis, M.; Tedds, J. A.; Watson, M. G.

    2017-02-01

    We study a sample of six X-ray-selected broad absorption line (BAL) quasi-stellar objects (QSOs) from the XMM-Newton Wide Angle Survey. All six objects are classified as BALQSOs using the classic balnicity index, and together they form the largest sample of X-ray-selected BALQSOs. We find evidence for absorption in the X-ray spectra of all six objects. An ionized absorption model applied to an X-ray spectral shape that would be typical for non-BAL QSOs (a power law with energy index α = 0.98) provides acceptable fits to the X-ray spectra of all six objects. The optical to X-ray spectral indices, αOX, of the X-ray-selected BALQSOs, have a mean value of <αOX> = 1.69 ± 0.05, which is similar to that found for X-ray-selected and optically selected non-BAL QSOs of a similar ultraviolet luminosity. In contrast, optically selected BALQSOs typically have much larger αOX and so are characterized as being X-ray weak. The results imply that X-ray selection yields intrinsically X-ray bright BALQSOs, but their X-ray spectra are absorbed by a similar degree to that seen in optically selected BALQSO samples; X-ray absorption appears to be ubiquitous in BALQSOs, but X-ray weakness is not. We argue that BALQSOs sit at one end of a spectrum of X-ray absorption properties in QSOs related to the degree of ultraviolet absorption in C IV 1550 Å.

  13. CO Line Emission and Absorption from the HL Tauri Disk-Where Is All the Dust?

    NASA Astrophysics Data System (ADS)

    Brittain, Sean D.; Rettig, Terrence W.; Simon, Theodore; Kulesa, Craig

    2005-06-01

    We present high-resolution infrared spectra of HL Tau, a heavily embedded young star. The spectra exhibit broad emission lines of 12CO gas-phase molecules, as well as narrow absorption lines of 12CO, 13CO, and C18O. The broad emission lines of vibrationally excited 12CO are dominated by the hot (T~1500 K) inner disk. The narrow absorption lines of CO are found to originate from the circumstellar gas at a temperature of ~100 K. The 12CO column density for this cooler material [(7.5+/-0.2)×1018 cm-2] indicates a large column of absorbing gas along the line of sight. In dense interstellar clouds, this column density of CO gas is associated with AV~52 mag. However, the extinction toward this source (AV~23) suggests that there is less dust along the line of sight than inferred from the CO absorption data. We discuss three possibilities for the apparent paucity of dust along the line of sight through the flared disk: (1) the dust extinction has been underestimated because of differences in circumstellar grain properties, such as grain agglomeration; (2) the effect of scattering has been underestimated and the actual extinction is much higher; or (3) the line of sight through the disk is probing a gas-rich, dust-depleted region, possibly due to the stratification of gas and dust in a preplanetary disk. Through the analysis of hot rovibrational 12CO line emission, we place strong constraints on grain growth and thermal infrared dust opacity, and separately constrain the enhancement of carbon-bearing species in the neighboring molecular envelope. The physical stratification of gas and dust in the HL Tau disk remains a viable explanation for the anomalous gas-to-dust ratio seen in this system. The measured radial velocity dispersion in the outer disk is consistent with the thermal line widths of the absorption lines, leaving only a small turbulent component to provide gas-dust mixing. The data presented herein were obtained at the W. M. Keck Observatory, which is operated

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

    DTIC Science & Technology

    2016-06-03

    provide interpretation of absorption spectra with respect to molecular structure for excitation by electromagnetic waves at frequencies within the...IR and UV-visible ranges. The absorption spectrum corresponding to excitation states of As-H2O complexes consisting of relatively small numbers of...As emphasized previously [17], the absorption spectrum of H2O clusters should be of significance for interpretation of absorption spectra

  15. The macroscopic field in ultrathin molecular films and its manifestation in absorption and Raman spectra

    SciTech Connect

    Tyu, N.S.

    1995-12-01

    Optical properties of an ultrathin molecular film placed in a dielectric medium are considered. A macroscopic field is calculated and a spectrum of Coulomb excitons is found. The features of their manifestation in absorption and Raman spectra are studied. 15 refs., 2 figs.

  16. Excited states and absorption spectra of β-diketonate complexes of boron difluoride with aromatic substituents

    NASA Astrophysics Data System (ADS)

    Vovna, V. I.; Kazachek, M. V.; L'vov, I. B.

    2012-04-01

    In the approximation of the time-dependent electron density functional theory, we have studied using the quantum-chemical method the nature of excited states of boron difluoride acetylacetonate F2BAA and its substituted derivatives that contain aromatic groups with one or two benzene cycles in the β-position. Optimization of the geometry of complexes show coplanar positions of cycles for all compounds, except for that with the substituent C6H3(CH3)2. Based on the calculated transition energies and oscillator strengths, we have simulated the absorption spectra in the prevacuum range. The calculated absorption spectra have been compared with the experimental spectra in the gas phase or in solutions. We show that, in the absorption spectra of complexes that contain substituents with one benzene cycle, the first three bands are caused by the transition of π electrons of the substituent to the LUMO of the chelate cycle. In complexes with two cycles in the substituent, the number of these transitions increases to five. As the π system becomes more extended, a bathochromic shift of the first absorption band and an increase in the transition probability are observed.

  17. 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.

  18. Oxygen K-edge absorption spectra of small molecules in the gas phase

    SciTech Connect

    Yang, B.X.; Kirz, J.; Sham, T.K.

    1986-01-01

    The absorption spectra of O/sub 2/, CO, CO/sub 2/ and OCS have been recorded in a transmission mode in the energy region from 500 to 950 eV. Recent observation of EXAFS in these molecules is confirmed in this study. 7 refs., 3 figs.

  19. 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).

  20. Absorption and fluorescence spectra of poly(p-phenylenevinylene) (PPV) oligomers: an ab initio simulation.

    PubMed

    Cardozo, Thiago M; Aquino, Adélia J A; Barbatti, Mario; Borges, Itamar; Lischka, Hans

    2015-03-05

    The absorption and fluorescence spectra of poly(p-phenylenevinylene) (PPV) oligomers with up to seven repeat units were theoretically investigated using the algebraic diagrammatic construction method to second order, ADC(2), combined with the resolution-of-the-identity (RI) approach. The ground and first excited state geometries of the oligomers were fully optimized. Vertical excitation energies and oscillator strengths of the first four transitions were computed. The vibrational broadening of the absorption and fluorescence spectra was studied using a semiclassical nuclear ensemble method. After correcting for basis set and solvent effects, we achieved a balanced description of the absorption and fluorescence spectra by means of the ADC(2) approach. This fact is documented by the computed Stokes shift along the PPV series, which is in good agreement with the experimental values. The experimentally observed band width of the UV absorption and fluorescence spectra is well reproduced by the present simulations showing that the nuclear ensemble generated should be well suitable for consecutive surface hopping dynamics simulations.

  1. 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.

  2. High-resolution optical and ultraviolet absorption-line studies of interstellar gas

    NASA Technical Reports Server (NTRS)

    Cowie, Lennox L.; Songaila, Antoinette

    1986-01-01

    Recent progress in the characterization of the interstellar medium (ISM) by means of optical and UV spectral data is summarized. The gas is studied by focusing on background stars whose spectra can be accurately modeled to provide the light source for the absorption-line scans. The capabilities of earth- and space-based instruments which have been and are used for the surveys are delineated. The distributions of diffuse gas densities and characteristics of the cold, warm and hot gas in the Galaxy are described in terms of the elemental abundances, kinetics and distributions of the gas. Particular note is taken of gas in the solar neighborhood and around SNR, and of absorption-line data of cosmological significance.

  3. Calibration and analysis of spatially resolved x-ray absorption spectra from a nonuniform plasma

    NASA Astrophysics Data System (ADS)

    Knapp, P. F.; Hansen, S. B.; Pikuz, S. A.; Shelkovenko, T. A.; Hammer, D. A.

    2012-07-01

    We report here the calibration and analysis techniques used to obtain spatially resolved density and temperature measurements of a pair of imploding aluminum wires from x-ray absorption spectra. A step wedge is used to measure backlighter fluence at the film, allowing transmission through the sample to be measured with an accuracy of ±14% or better. A genetic algorithm is used to search the allowed plasma parameter space and fit synthetic spectra with 20 μm spatial resolution to the measured spectra, taking into account that the object plasma nonuniformity must be physically reasonable. The inferred plasma conditions must be allowed to vary along the absorption path in order to obtain a fit to the spectral data. The temperature is estimated to be accurate to within ±25% and the density to within a factor of two. This information is used to construct two-dimensional maps of the density and temperature of the object plasma.

  4. Solvent and structural effects on the UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides.

    PubMed

    Matijević, Borko M; Vaštag, Đenđi Đ; Perišić-Janjić, Nada U; Apostolov, Suzana Lj; Milčić, Miloš K; Živanović, Lidija; Marinković, Aleksandar D

    2014-01-03

    UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides have been recorded in the range 200-400 nm in the set of selected solvents. The solute-solvent interactions were analyzed on the basis of linear solvation energy relationships (LSER) concept proposed by Kamlet and Taft. The effects of substituents on the absorption spectra were interpreted by correlation of absorption frequencies with Hammett substituent constant, σ. It was found that substituents significantly change the extent of conjugation. Furthermore, the experimental findings were interpreted with the aid of ab initio B3LYP/6-311G(d,p) method. Electronic energies was calculated by the use of 6-311++G(3df,3pd) methods with standard polarized continuum model (PCM) for inclusion of the solvent effect.

  5. Possible spinel absorption bands in S-asteroid visible reflectance spectra

    NASA Technical Reports Server (NTRS)

    Hiroi, T.; Vilas, F.; Sunshine, J. M.

    1994-01-01

    Minor absorption bands in the 0.55 to 0.7 micron wavelength range of reflectance spectra of 10 S asteroids have been found and compared with those of spinel-group minerals using the modified Gaussian model. Most of these S asteroids are consistently shown to have two absorption bands around 0.6 and 0.67 micron. Of the spinel-group minerals examined in this study, the 0.6 and 0.67 micron bands are most consistent with those seen in chromite. Recently, the existence of spinels has also been detected from the absorption-band features around 1 and 2 micron of two S-asteroid reflectance spectra, and chromite has been found in a primitive achondrite as its major phase. These new findings suggest a possible common existence of spinel-group minerals in the solar system.

  6. 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.

  7. Delta bilirubin: absorption spectra, molar absorptivity, and reactivity in the diazo reaction.

    PubMed

    Doumas, B T; Wu, T W; Jendrzejczak, B

    1987-06-01

    Delta bilirubin (B delta), isolated from serum, has an absorption maximum near 440 nm and a molar absorptivity of 72,000 L mol-1cm-1 in either Tris HCl (0.1 mol/L, pH 8.5) or phosphate (0.13 mol/L, pH 7.4) buffer. This absorptivity exceeds by approximately 50% and 59%, respectively, that of unconjugated bilirubin in the same buffers. This finding suggests that substantial errors can be incurred in direct spectrophotometry of bilirubins in serum. In the total diazo (TBIL) assay (Clin Chem 1985;31:1779-89), the color yield from B delta increases by 10% as the final diazo concentration is increased from 0.27 to 0.81 mmol/L. In the direct (DBIL) assay, if done in HCl (50 mmol/L), B delta yields approximately 15% more color as the diazo concentration is increased from 0.51 to 1.53 mmol/L, whereas in acetate buffer (0.4 mol/L, pH 4.7) the corresponding color yield is 25% greater. However, the absolute color yield for the reaction in HCl exceeds that in acetate buffer. In both the TBIL and the DBIL assay, B delta reacts slowly, nearly complete reaction requiring 10 min. Thus, B delta may be seriously underestimated in diazo (especially DBIL) methods in which short reaction times (20 s to 1 min) are used.

  8. Mapping of the Local Interstellar Medium using Absorption Line Spectroscopy

    NASA Astrophysics Data System (ADS)

    Penprase, Bryan Edward

    2017-01-01

    Using the Yale SMARTS 1.5-meter telescope at CTIO and the CHIRON spectrograph, we have developed a program for mapping the local interstellar medium using a sample of over 200 newly observed B stars previously unobserved using Na I absorption lines. This sample includes stars that extend out to map beyond the local bubble to 500 pc. The sample has been observed using high resolution absorption lines, and when combined with previously observed stars with Na I and Ca II data provides a more complete picture of the local ISM than previous surveys. The distances to the stars using the new GAIA database also allows for more accurate determination of distances to features in the lcoal ISM, and new maps of the structure of the ISM hav been prepared with the data.

  9. Terminal Velocity Infall in QSO Absorption Line Halos

    NASA Astrophysics Data System (ADS)

    Benjamin, Robert A.

    We explore the hypothesis that clouds detected in quasar absorption line systems are falling at a terminal velocity toward the center of high redshift gaseous galactic halos. Since both the ionization level and terminal velocity of halo clouds increase with increasing distance from the central galaxy, velocity resolved profiles of highly ionized gas are predicted to have a greater width than low ionization gas. A line of sight passing through the center of gaseous halo (an idealized damped Ly alpha system), yields low ionization absorption at the velocity of the galaxy, flanked by high ionization on either side. Reasonable halo parameters yield total velocity extents for C IV of Delta v_{C IV}=100-200 km s^{-1}, in agreement with many systems observed by Lu et al (1997). The remaining systems may better described by the rotating disk model of Prochaska & Wolfe (1998). Finally, observational tests are suggested for verifying or falsifying the terminal velocity hypothesis for these systems.

  10. AN ATLAS OF FAR-ULTRAVIOLET SPECTRA OF THE ZETA AURIGAE BINARY 31 CYGNI WITH LINE IDENTIFICATIONS

    SciTech Connect

    Bauer, Wendy Hagen; Bennett, Philip D.

    2014-04-01

    The ζ Aurigae system 31 Cygni (K4 Ib + B4 V) was observed by the FUSE satellite during total eclipse and at three phases during chromospheric eclipse. We present the coadded, calibrated spectra and atlases with line identifications. During total eclipse, emission from high ionization states (e.g., Fe III and Cr III) shows asymmetric profiles redshifted from the systemic velocity, while emission from lower ionization states (e.g., Fe II and O I) appears more symmetric and is centered closer to the systemic velocity. Absorption from neutral and singly ionized elements is detected during chromospheric eclipse. Late in chromospheric eclipse, absorption from the K star wind is detected at a terminal velocity of ∼80 km s{sup –1}. These atlases will be useful for interpreting the far-UV spectra of other ζ Aur systems, as the observed FUSE spectra of 32 Cyg, KQ Pup, and VV Cep during chromospheric eclipse resemble that of 31 Cyg.

  11. Effect of fluctuations in Doppler width on the center of strong absorption lines

    NASA Astrophysics Data System (ADS)

    Silant'ev, N. A.; Alekseeva, G. A.; Novikov, V. V.

    2011-12-01

    Stochastic temperatures and turbulence are characterized by average velocities u th and < u turb > ≡ u 0 and fluctuations {u'_{th}} and u' (< u' > = 0). Thus, the Doppler width of a line also has a fluctuating component Δ {λ '_D} . Observed spectra correspond to the radiative flux averaged over time and over a star's surface, . Usually, only the average velocities u th and u 0 are taken into account in photospheric models and these yield the Doppler width Δ λ_D^{(0)} of a line in the customary way. The fluctuations Δ {λ '_D} mean that near a line center the average absorption coefficient < αλ > is larger than the usual αλ, which depends only on the average velocities u th and u 0. This enhances the absorption line near the center and is not explained by the photospheric models. This new statistical effect depends on the wavelength of the line. A comparison of observed lines with model profiles yields an estimate for the average level of fluctuations in the Doppler width, η = {{{left< {left| {Δ {{λ '}_D}} right|} rightrangle }} left/ {{Δ λ_D^{(0)}}} right.} , which characterizes the average stochasticity of a photosphere and is important for understanding the physics of photospheres. The depths of lines in synthetic spectra of stars are often greater than the observed values. The observed disagreement between the theoretical and actually observed depths of lines can be corrected by introducing an additional parameter, the fluctuation level η. Then it is possible to obtain estimates of η for a number of stars.

  12. No Evidence for Variability of Intervening Absorption Lines toward GRB 060206: Implications for the MgII Incidence Problem

    NASA Astrophysics Data System (ADS)

    Aoki, Kentaro; Totani, Tomonori; Hattori, Takashi; Ohta, Kouji; Kawabata, Koji S.; Kobayashi, Naoto; Iye, Masanori; Nomoto, Ken'ichi; Kawai, Nobuyuki

    2009-02-01

    We examined the variability of absorption line strength of intervening systems along the line of sight to GRB 060206 at z = 4.05, utilizing low-resolution optical spectra obtained by the Subaru telescope from six to ten hours after the burst. Strong variabilities of FeII and MgII lines at z = 1.48 during t = 5--8hr have been reported for this GRB, and those have been used to support the idea of clumpy MgII cloudlets, which was originally proposed to explain the anomalously high incidence of MgII absorbers in the GRB spectra compared to quasars. However, our spectra with a higher signal-to-noise ratio do not show any evidence for variability in t = 6--10hr. There is a clear discrepancy between our data and those of Hao et al. (2007, ApJ, 659, L99) in the overlapping time interval. Furthermore, the line strengths in our data are in agreement with those observed at t ˜ 2hr by Thöne et al. (2008, A&A, 489, 37). We also detected FeII and MgII absorption lines for a system at z = 2.26; these lines do not show evidence for variability either. Therefore, we conclude that there is no strong evidence for the variability in the intervening absorption lines toward GRB 060206, offering poor support for the MgII cloudlet hypothesis by the GRB 060206 data.

  13. Evidence for active galactic nucleus feedback in the broad absorption lines and reddening of MRK 231 {sup ,}

    SciTech Connect

    Leighly, Karen M.; Baron, Eddie; Lucy, Adrian B.; Terndrup, Donald M.; Dietrich, Matthias; Gallagher, Sarah C.

    2014-06-20

    We present the first J-band spectrum of Mrk 231, which reveals a large He I* λ10830 broad absorption line with a profile similar to that of the well-known Na I broad absorption line. Combining this spectrum with optical and UV spectra from the literature, we show that the unusual reddening noted by Veilleux et al. is explained by a reddening curve like those previously used to explain low values of total-to-selective extinction in Type Ia supernovae. The nuclear starburst may be the origin and location of the dust. Spatially resolved emission in the broad absorption line trough suggests nearly full coverage of the continuum emission region. The broad absorption lines reveal higher velocities in the He I* lines (produced in the quasar-photoionized H II region) compared with the Na I and Ca II lines (produced in the corresponding partially ionized zone). Cloudy simulations show that a density increase is required between the H II and partially ionized zones to produce ionic column densities consistent with the optical and IR absorption line measurements and limits, and that the absorber lies ∼100 pc from the central engine. These results suggest that the He I* lines are produced in an ordinary quasar BAL wind that impacts upon, compresses, and accelerates the nuclear starburst's dusty effluent (feedback in action), and the Ca II and Na I lines are produced in this dusty accelerated gas. This unusual circumstance explains the rarity of Na I absorption lines; without the compression along our line of sight, Mrk 231 would appear as an ordinary iron low-ionization, broad absorption line quasar.

  14. NLTE models for synthetic spectra of type IA supernovae. The influence of line blocking.

    NASA Astrophysics Data System (ADS)

    Pauldrach, A. W. A.; Duschinger, M.; Mazzali, P. A.; Puls, J.; Lennon, M.; Miller, D. L.

    1996-08-01

    A method to compute a NLTE model of the atmosphere of a type Ia supernova (SN Ia) near maximum light is presented. The determination of the level populations is carried out using detailed atomic models, and including all important contributions to the rate equations: Thomson scattering, bound-free (from ground and excited levels) and free-free opacities, line absorption and emission processes. Dielectronic recombination is included. The spherical radiation transfer is solved at up to 400 frequency points and 41 depth points. Finally, a synthetic spectrum is computed using a formal integral solution of the transfer equation based on a spatial microgrid. It is found that the SN atmosphere is electron scattering-dominated, and that the high velocity of the apparent photosphere (~8000km/s) is due to the pseudo-continuum opacity created by the thick line forest which blocks the flux in the UV and optical part of the spectrum. Increasingly more sophisticated treatments of the process of flux blocking in the UV (line blocking) are discussed. The necessity of treating the far-UV flux correctly is demonstrated. Line blocking in the region 800-1300A reduces the photoionization from the excited levels of several important ions (e.g. Fe II, Co II, Si II, Ca II), thus decreasing the overall degree of ionization. This effect is clearly seen in the synthetic emergent spectra. Synthetic spectra obtained with the various methods adopted for line blocking are shown, and compared to one another. When line blocking is properly treated, the synthetic spectrum reproduces well the spectrum of the `normal' SN Ia 1992A from the UV to the near-IR.

  15. Experimental Study of Temperature-Dependence Laws of Non-Voigt Absorption Line Shape Parameters

    NASA Astrophysics Data System (ADS)

    Wilzewski, Jonas; Birk, Manfred; Loos, Joep; Wagner, Georg

    2017-06-01

    To improve the understanding of temperature-dependence laws of spectral line shape parameters, spectra of the ν_3 rovibrational band of CO_2 perturbed by 10, 30, 100, 300 and 1000 mbar of N_2 were measured at nine temperatures between 190 K and 330 K using a 22 cm long single-pass absorption cell in a Bruker IFS125 HR Fourier Transform spectrometer. The spectra were fitted employing a quadratic speed-dependent hard collision model in the Hartmann-Tran implementation extended to account for line mixing in the Rosenkranz approximation by means of a multispectrum fitting approach developed at DLR This enables high accuracy parameter retrievals to reproduce the spectra down to noise level and we will present the behavior of line widths, shifts, speed-dependence-, collisional narrowing- and line mixing-parameters over this 140 K temperature range. Tran et al. JQSRT 129, 199-203 (2013); JQSRT 134, 104 (2014). Loos et al., 2014; http://doi.org/10.5281/zenodo.11156. Ngo et al. JQSRT 29, 89-100 (2013); JQSRT 134, 105 (2014).

  16. High resolution infrared absorption spectra of various trace gases present in the upper atmosphere of the Earth

    NASA Technical Reports Server (NTRS)

    Hunt, Robert H.

    1988-01-01

    The objective of NASA Grant NsG 7473 was to obtain and analyze high resolution infrared absorption spectra of various trace gases present in the Earth's upper atmosphere. The goal of the spectral analysis was to obtain values of absorption line strengths, widths and frequencies of sufficient accuracy for use in upper atmosphere trace gas monitoring. During the early phase of the grant, high resolution spectra were obtained from two instruments. One was the 0.02/cm resolution vacuum grating spectrometer at the Florida State University and the other was the 0.01/cm resolution Fourier transform spectrometer at the McMath solar telescope at the Kitt Peak Observatory. Using these instruments, a considerable amount of spectra of methane and hydrogen peroxide were obtained and analyzed. During the latter years of the project, data taking was halted while efforts were devoted to building a new 0.0025/cm resolution vacuum Fourier transform spectrometer. Progress during this phase of the grant then became greatly slowed due to a lack of suitable graduate students in the program. However, the instrument was completed and brought to the point of producing interferograms.

  17. Collisional Line-Shape and Line-Mixing Parameters for CO(2) Absorption near 3340 cm(-1): Measurements and Modeling

    NASA Astrophysics Data System (ADS)

    Buldyreva, Jeanna; Auwera, Jean Vander

    2014-06-01

    class="MsoNormal">The present work is focused on the determination of line-shape parameters for one of the 12C16O2 bands detectable by the SOIR (Solar Occultation in the InfraRed) instrument onboard the ESA Venus Express spacecraft, namely the 21102 - 00001 band located near 3340 cm-1. High-resolution Fourier transform spectra of this band have been recorded at sub-atmospheric pressures and analyzed to extract isolated-line intensities and collisional parameters as well as first-order line-mixing coefficients. Voigt, hard-collision Rautian and Sobel'man, and quadratic-speed-dependent Voigt profiles have been used. The retrieved parameters are compared with previous data available in the literature and with theoretical estimates obtained by an Energy-Corrected Sudden approach (generally, non-Markovian) employing a symmetric metric in the Liouville space. The same approach, supplied with additional hypotheses for basic transition rates for the hot bands, has also been used to model the complete band shapes. The need for accounting of line-narrowing effects at sub-atmospheric pressures has been evidenced from comparison with the recorded spectra, and some improvements have been introduced in the relaxation matrix model, leading to a good agreement of calculated and measured absorptions from nearly Doppler pressure regime to nearly atmospheric pressure.

  18. Quantum mechanical calculation of the collision-induced absorption spectra of N{sub 2}–N{sub 2} with anisotropic interactions

    SciTech Connect

    Karman, Tijs; Groenenboom, Gerrit C.; Avoird, Ad van der; Miliordos, Evangelos; Hunt, Katharine L. C.

    2015-02-28

    We present quantum mechanical calculations of the collision-induced absorption spectra of nitrogen molecules, using ab initio dipole moment and potential energy surfaces. Collision-induced spectra are first calculated using the isotropic interaction approximation. Then, we improve upon these results by considering the full anisotropic interaction potential. We also develop the computationally less expensive coupled-states approximation for calculating collision-induced spectra and validate this approximation by comparing the results to numerically exact close-coupling calculations for low energies. Angular localization of the scattering wave functions due to anisotropic interactions affects the line strength at low energies by two orders of magnitude. The effect of anisotropy decreases at higher energy, which validates the isotropic interaction approximation as a high-temperature approximation for calculating collision-induced spectra. Agreement with experimental data is reasonable in the isotropic interaction approximation, and improves when the full anisotropic potential is considered. Calculated absorption coefficients are tabulated for application in atmospheric modeling.

  19. Infrared absorption and Raman scattering spectra of water under pressure via first principles molecular dynamics.

    PubMed

    Ikeda, Takashi

    2014-07-28

    From both the polarized and depolarized Raman scattering spectra of supercritical water a peak located at around 1600 cm(-1), attributed normally to bending mode of water molecules, was experimentally observed to vanish, whereas the corresponding peak remains clearly visible in the measured infrared (IR) absorption spectrum. In this computational study a theoretical formulation for analyzing the IR and Raman spectra is developed via first principles molecular dynamics combined with the modern polarization theory. We demonstrate that the experimentally observed peculiar behavior of the IR and Raman spectra for water are well reproduced in our computational scheme. We discuss the origins of a feature observed at 1600 cm(-1) in Raman spectra of ambient water.

  20. THE PHYSICAL CONDITIONS OF THE INTRINSIC N V NARROW ABSORPTION LINE SYSTEMS OF THREE QUASARS

    SciTech Connect

    Wu Jian; Charlton, Jane C.; Misawa, Toru; Eracleous, Michael; Ganguly, Rajib E-mail: misawatr@shinshu-u.ac.j

    2010-10-20

    We employ detailed photoionization models to infer the physical conditions of intrinsic narrow absorption line systems found in high-resolution spectra of three quasars at z = 2.6-3.0. We focus on a family of intrinsic absorbers characterized by N V lines that are strong relative to the Ly{alpha} lines. The inferred physical conditions are similar for the three intrinsic N V absorbers, with metallicities greater than 10 times the solar value (assuming a solar abundance pattern), and with high ionization parameters (log U {approx} 0). Thus, we conclude that the unusual strength of the N V lines results from a combination of partial coverage, a high ionization state, and high metallicity. We consider whether dilution of the absorption lines by flux from the broad emission line region can lead us to overestimate the metallicities and we find that this is an unlikely possibility. The high abundances that we infer are not surprising in the context of scenarios in which metal enrichment takes place very early on in massive galaxies. We estimate that the mass outflow rate in the absorbing gas (which is likely to have a filamentary structure) is less than a few M{sub sun} yr{sup -1} under the most optimistic assumptions, although it may be embedded in a much hotter, more massive outflow.

  1. Studying the complex absorption profiles of Si IV in 21 HiBALQSO spectra

    NASA Astrophysics Data System (ADS)

    Stathopoulos, D.; Danezis, E.; Lyratzi, E.; Antoniou, A.; Popović, L. Č.; Tzimeas, D.; Dimitrijević, M. S.

    2014-12-01

    We investigate the physical conditions and kinematics of broad absorption line region clouds of Si IV in 21 HiBAL Quasars. We use the Danezis et al. method [1], [2], [3] in order to fit and analyze the broad absorption troughs of Si IV resonance lines in the UV region of the electromagnetic spectrum. We find that the BAL flow is not smooth but instead plasma clouds are formed in it. BAL troughs present multicomponent structure which indicates the existence of more than one absorbing cloud in the line of sight, where every absorbing cloud produces a Si IV doublet. We show that the blending of these doublets produces the apparent broad absorption troughs we observe. One of our main achievements is that we managed to decompose and deblend each complex absorption trough to the individual doublets that it consists of. Apart from that, we succeeded in deblending the resonance lines of every doublet. By achieving accurate fits to the BAL troughs we calculated some physical and kinematical parameters that describe the plasma clouds in the line of sight. These parameters are: the radial outflow velocities of the clouds, the random velocities of ions inside each plasma cloud, the apparent optical depth in the center of every absorption component, the FWHM and the equivalent width. As a final step we correlate these physical parameters in order to draw useful conclusions.

  2. A Passive Method for Detecting Vegetation Stress from Orbit: Chlorophyll Fluorescence Spectra from Fraunhofer Lines

    NASA Technical Reports Server (NTRS)

    Theisen, Arnold F.

    2000-01-01

    Solar-stimulated chlorophyll fluorescence measured with the Fraunhofer line depth method has correlated well with vegetation stress in previous studies. However, the instruments used in those studies were limited to a single solar absorption line (e.g. 656.3 nm), obviating the red/far-red ratio (R/FR) method. Optics and detector technology have reached the level whereby multiple, very narrow Fraunhofer lines are resolvable. Thirteen such lines span the visible spectrum in the red to far-red region where chlorophyll fluorescence occurs. Fluorescence intensities at the 13 Fraunhofer line wavelengths were used to model emission spectra. The source data were collected for summer and fall bean crops (Phaseolus vulgaris L.) subjected to various levels of nitrogen fertilization. The intensities were adjusted to account for Fraunhofer line depth and atmospheric transmittance. Multiple R/FR fluorescence ratios, calculated from the modeled fluorescence spectra, correlated strongly with leaf chlorophyll concentration and well with applied nitrogen. The ratio yielding the best correlation with chlorophyll utilized red fluorescence at the 694.5 nm Fraunhofer line and farred fluorescence at the 755.6 nm Fraunhofer line. Twenty R/FR ratios, each evaluated for the maximum differential between low and high (optimal) nitrogen treatments, ranked higher in some cases and lower in others, possibly related to the time of year the crops were grown and the stage of growth of the crops. Ratios with 728.9 nm and 738.9 nm in the denominator consistently ranked in the lowest and next lowest quartile, respectively. Ratios of the 656.3 nm Fraunhofer line and the 755.6 nm line consistently ranked highest for the summer crop. Ratios with 755.6 nm in the denominator ranked in the upper quartile for 10 out of 12 measurement dates. Differences in ratio ranking indicate that physiological conditions may be estimated using selected ratios of Fraunhofer lines within the context of R/FR analysis. A

  3. IMPROVED AND QUALITY-ASSESSED EMISSION AND ABSORPTION LINE MEASUREMENTS IN SLOAN DIGITAL SKY SURVEY GALAXIES

    SciTech Connect

    Oh, Kyuseok; Yi, Sukyoung K.; Sarzi, Marc; Schawinski, Kevin

    2011-08-01

    We present a new database of absorption and emission-line measurements based on the entire spectral atlas from the Sloan Digital Sky Survey (SDSS) 7th data release of galaxies within a redshift of 0.2. Our work makes use of the publicly available penalized pixel-fitting (pPXF) and gas and absorption line fitting (gandalf) IDL codes, aiming to improve the existing measurements for stellar kinematics, the strength of various absorption-line features, and the flux and width of the emissions from different species of ionized gas. Our fit to the stellar continuum uses both standard stellar population models and empirical templates obtained by combining a large number of stellar spectra in order to fit a subsample of high-quality SDSS spectra for quiescent galaxies. Furthermore, our fit to the nebular spectrum includes an exhaustive list of both recombination and forbidden lines. Foreground Galactic extinction is implicitly treated in our models, whereas reddening in the SDSS galaxies is included in the form of a simple dust screen component affecting the entire spectrum that is accompanied by a second reddening component affecting only the ionized gas emission. In order to check for systematic departures from the rather standard set of assumptions that enters our models, we provide a quality assessment for our fit to the SDSS spectra in our sample, for both the stellar continuum and the nebular emissions and across different wavelength regions. This quality assessment also allows the identification of objects with either problematic data or peculiar features. We hope to foster the discovery potential of our database; therefore, our spectral fit is available to the community. For example, based on the quality assessment around the H{alpha} and [N II] {lambda}6584 lines, approximately 1% of the SDSS spectra classified as 'galaxies' by the SDSS pipeline do in fact require additional broad lines to be matched, even though they do not show a strong continuum from an active

  4. Improved and Quality-assessed Emission and Absorption Line Measurements in Sloan Digital Sky Survey Galaxies

    NASA Astrophysics Data System (ADS)

    Oh, Kyuseok; Sarzi, Marc; Schawinski, Kevin; Yi, Sukyoung K.

    2011-08-01

    We present a new database of absorption and emission-line measurements based on the entire spectral atlas from the Sloan Digital Sky Survey (SDSS) 7th data release of galaxies within a redshift of 0.2. Our work makes use of the publicly available penalized pixel-fitting (pPXF) and gas and absorption line fitting (gandalf) IDL codes, aiming to improve the existing measurements for stellar kinematics, the strength of various absorption-line features, and the flux and width of the emissions from different species of ionized gas. Our fit to the stellar continuum uses both standard stellar population models and empirical templates obtained by combining a large number of stellar spectra in order to fit a subsample of high-quality SDSS spectra for quiescent galaxies. Furthermore, our fit to the nebular spectrum includes an exhaustive list of both recombination and forbidden lines. Foreground Galactic extinction is implicitly treated in our models, whereas reddening in the SDSS galaxies is included in the form of a simple dust screen component affecting the entire spectrum that is accompanied by a second reddening component affecting only the ionized gas emission. In order to check for systematic departures from the rather standard set of assumptions that enters our models, we provide a quality assessment for our fit to the SDSS spectra in our sample, for both the stellar continuum and the nebular emissions and across different wavelength regions. This quality assessment also allows the identification of objects with either problematic data or peculiar features. We hope to foster the discovery potential of our database; therefore, our spectral fit is available to the community. For example, based on the quality assessment around the Hα and [N II] λ6584 lines, approximately 1% of the SDSS spectra classified as "galaxies" by the SDSS pipeline do in fact require additional broad lines to be matched, even though they do not show a strong continuum from an active nucleus, as

  5. WAVELENGTH MEASUREMENTS OF K TRANSITIONS OF OXYGEN, NEON, AND MAGNESIUM WITH X-RAY ABSORPTION LINES

    SciTech Connect

    Liao Jinyuan; Zhang Shuangnan; Yao Yangsen

    2013-09-10

    Accurate atomic transition data are important in many astronomical research areas, especially for studies of line spectroscopy. Whereas transition data of He-like and H-like ions (i.e., ions in high-charge states) have been accurately calculated, the corresponding data of K transitions of neutral or low-ionized metal elements are still very uncertain. Spectroscopy of absorption lines produced in the interstellar medium (ISM) has been proven to be an effective way to measure the central wavelengths of these atomic transitions. In this work, we analyze 36 Chandra High Energy Transmission Grating observations to search for and measure the ISM absorption lines along sight lines to 11 low-mass X-ray binaries. We correct the Galactic rotation velocity to the rest frame for every observation and then use two different methods to merge all the corrected spectra to a co-added spectrum. However, the co-added spectra obtained by this method exhibit biases, toward to either observations with high counts or lines with high signal-to-noise ratios. We do a Bayesian analysis of several significantly detected lines to obtain the systematic uncertainty and the bias correction for other lines. Compared to previous studies, our results improve the wavelength accuracy by a factor of two to five and significantly reduce the systematic uncertainties and biases. Several weak transitions (e.g., 1s-2p of Mg IV and Mg V; 1s-3p of Mg III and Mg V) are also detected for the first time, albeit with low significance; future observations with improved accuracy are required to confirm these detections.

  6. 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

  7. Measurements of self-broadening of infrared absorption lines of ozone

    NASA Technical Reports Server (NTRS)

    Smith, M. A. H.; Rinsland, C. P.; Devi, V. M.

    1991-01-01

    Lorentz self-broadening coefficients have been determined for 355 spectral lines belonging to five different infrared vibration-rotation bands of O3 in the spectral region from 4.8 to 17 microns. Six ozone absorption spectra, recorded at room temperature using a Fourier transform spectrometer, were analyzed. The half-width values were obtained through a nonlinear least-squares spectral fitting procedure. The results are compared with previous measurements, and the vibration of the half-widths with vibrational and rotational quantum numbers is examined.

  8. Vibrational dynamics of DNA. II. Deuterium exchange effects and simulated IR absorption spectra

    NASA Astrophysics Data System (ADS)

    Lee, Chewook; Cho, Minhaeng

    2006-09-01

    In Paper I, we studied vibrational properties of normal bases, base derivatives, Watson-Crick base pairs, and multiple layer base pair stacks in the frequency range of 1400-1800cm-1. However, typical IR absorption spectra of single- and double-stranded DNA have been measured in D2O solution. Consequently, the more relevant bases and base pairs are those with deuterium atoms in replacement with labile amino hydrogen atoms. Thus, we have carried out density functional theory vibrational analyses of properly deuterated bases, base pairs, and stacked base pair systems. In the frequency range of interest, both aromatic ring deformation modes and carbonyl stretching modes appear to be strongly IR active. Basis mode frequencies and vibrational coupling constants are newly determined and used to numerically simulate IR absorption spectra. It turns out that the hydration effects on vibrational spectra are important. The numerically simulated vibrational spectra are directly compared with experiments. Also, the O18-isotope exchange effect on the poly(dG):poly(dC) spectrum is quantitatively described. The present calculation results will be used to further simulate two-dimensional IR photon echo spectra of DNA oligomers in the companion Paper III.

  9. Low Temperature Absorption Spectra of Chlorophyll a in Polar and Nonpolar Solvents

    PubMed Central

    Brody, S. S.; Broyde, S. B.

    1968-01-01

    Absorption spectra of chlorophyll a were measured in polar and non-polar solvents, as a function of temperature from 298° to 77°K. Both dilute and concentrated solutions were examined. In both types of solvents at room temperature, the absorption spectra of concentrated solutions differ from dilute ones in that the half width of the main red absorption band is greater, and all bands are shifted to longer wavelengths. These differences are largely due to the presence of dimers when the pigment concentration is high. In dilute ethanol solutions, where the chlorophyll is unassociated, cooling causes a red shift in all bands which is due to the increased polarity of the solvent at low temperature. On cooling at high concentrations in ethanol and EPA, a new band appears near 700 nm. This band is attributed to dimers present prior to cooling, but absorbing at shorter wavelengths at room temperature. In nonpolar solvents, a band near 700 nm appears at the solvent freezing point. In these solvents, the “700” nm absorption is attributed to dimers, and/or small polymers, partly formed by cooling. A change in aggregate geometry when the solvent becomes viscous or frozen can account for the appearance of this “700” nm absorption band at low temperature, in polar and nonpolar media. PMID:5713456

  10. 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.

  11. Theoretical simulations for vibrationally-resolved absorption spectra of naphthalenediimide cyclophane derivatives

    NASA Astrophysics Data System (ADS)

    Song, Ce; Li, Li; Duan, Sai; Luo, Yi; Tian, Guangjun

    2017-08-01

    In the present work we systematically investigated the vibrationally-resolved absorption spectra of three core substituted naphthalenediimide cyclophane derivatives. It has been performed by time-dependent density functional theory calculations using three different exchange-correlation functionals, including the conventional B3LYP functional and two long-range corrected functionals: CAM-B3LYP and ωB97XD. The solvent effects were also considered with the polarizable continuum model. Calculation results showed that long range corrections are needed to correctly describe the optical properties of the three molecules because of the strong charge transfer characteristic of the excited states. The core substitution induced red shift to the first absorption band is nicely explained by the theoretical calculations. It is found that this band mainly involves the transitions within the core substituted naphthalenediimide chromophore. The high energy absorption band, on the other hand, is generated mainly from the un-substituted chromophore. These characters result in different substitution dependence for those two main absorption bands. Furthermore, the simulated vibrational profiles of the first two absorption bands nicely reproduce the observed vibrational features in the measured spectra. The accuracy of the calculated results from different functionals and basis sets has been discussed.

  12. The Connection between Galaxies and Intergalactic Absorption Lines at Redshift 2<~z<~3

    NASA Astrophysics Data System (ADS)

    Adelberger, Kurt L.; Shapley, Alice E.; Steidel, Charles C.; Pettini, Max; Erb, Dawn K.; Reddy, Naveen A.

    2005-08-01

    Absorption-line spectroscopy of 23 background QSOs and numerous background galaxies has let us measure the spatial distribution of metals and neutral hydrogen around 1044 UV-selected galaxies at redshifts 1.8<~z<~3.3. The typical galaxy is surrounded to radii r~40 proper kpc by gas that has a large velocity spread (Δv>260 km s-1) and produces very strong absorption lines (NCIV>>1014 cm-2) in the spectra of background objects. These absorption lines are almost as strong as those produced by a typical galaxy's own interstellar gas. Absorption with an average column density of NCIV~=1014 cm-2 extends out to ~80 kpc, a radius large enough to imply that most strong intergalactic C IV absorption is associated with star-forming galaxies like those in our sample. Our measurement of the galaxy-C IV spatial correlation function shows that even the weakest detectable C IV systems are found in the same regions as galaxies; we find that the cross-correlation length increases with C IV column density and is similar to the galaxy autocorrelation length (r0~4 h-1 Mpc) for NCIV>~1012.5 cm-2. Distortions in the redshift-space galaxy-C IV correlation function on small scales may imply that some of the C IV systems have large peculiar velocities. Four of the five detected O VI absorption systems in our sample lie within 400 proper kpc of a known galaxy. Strong Lyα absorption is produced by the intergalactic gas within 1 h-1 comoving Mpc of most galaxies, but for a significant minority (~1/3) the absorption is weak or absent. This is not observed in smooth-particle hydrodynamic simulations that omit the effects of ``feedback'' from galaxy formation. We were unable to identify any statistically significant differences in age, dust reddening, environment, or kinematics between galaxies with weak nearby H I absorption and the rest, although galaxies with weak absorption may have higher star formation rates. Galaxies near intergalactic C IV systems appear to reside in relatively dense

  13. Optical Absorption Spectra of Ternary Complex of Praseodymium in Different Environment

    NASA Astrophysics Data System (ADS)

    Gupta, Anup Kumar; Ujjwal, Shri Kishan

    The optical absorption spectra of complex of Praseodymium in different solvents i.e water, Methanol, Ethanol & Acetic Acid have been recorded in visible region (360-620 nm for Pr3+) using amino acid as primary ligand and diol as secondary ligand. The value of energies & intensities of various transitions have been calculated using Judd-Ofelt relation is in good agreement with experimental result. The study of complex found it to be covalent in nature. The spectra in visible region have been recorded on model uv-2601 Rayleigh analytical instrument corp.

  14. Absorption, fluorescence, and SERS spectra of sanguinarine at different pH values

    NASA Astrophysics Data System (ADS)

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

    2007-09-01

    We have studied the absorption, fluorescence, and surface-enhanced Raman scattering (SERS) spectra of sanguinarine using a silver hydrosol and an electrochemical cell with a silver working electrode for different pH values in the medium. We carried out quantum chemical calculations in order to interpret the electronic and vibrational spectra and to establish their correlations with the structure of the molecules. We optimized the structure and determined the spectral characteristics of the cationic and neutral forms of the sanguinarine molecules in solution and adsorbed on the surface of an anodized Ag electrode for different potentials.

  15. Near-IR Absorption Spectra for the C70 Fullerene Anions

    DTIC Science & Technology

    1992-07-20

    were prepared in benzonitrile that was 0.1M in Bu 4 NPF6 support- ing electrolyte. Spectra of the various C70 species were obtained at room temperature...we note that the near-IR transition observed for C701 " appears at the same wavelength in benzonitrile and dichloromethane solutions. Furthermore...1. UV-visible-near-IR absorption spectra for (A) C70 and (B) C70 1- obtained in benzonitrile /0.1M Bu 4NPF6. A blank sample of the supporting

  16. Density-functional calculations of structures and absorption spectra of sulfur cluster S-6

    NASA Astrophysics Data System (ADS)

    Zhu, J.; Cheng, Y.; Bai, Y. L.; Chen, X. R.

    2005-01-01

    A finite-difference pseudopotential density-functional theory in real space and the Langevin molecular dynamics annealing technique as well as the adiabatic time-dependent density functional theory within the time-dependent local density approximation (TDLDA) are applied to the descriptions of structures and optical absorption spectra of sulfur cluster S-6. It is found that the ground-state structure of S-6 belongs to either a boat-shaped C-2v or chair-shaped D-3d symmetry structure and the calculated spectra exhibit a variety of features that can be used for comparison against future experimental investigations.

  17. In vivo low-coherence spectroscopic measurements of local hemoglobin absorption spectra in human skin

    NASA Astrophysics Data System (ADS)

    Bosschaart, Nienke; Faber, Dirk J.; van Leeuwen, Ton G.; Aalders, Maurice C. G.

    2011-10-01

    Localized spectroscopic measurements of optical properties are invaluable for diagnostic applications that involve layered tissue structures, but conventional spectroscopic techniques lack exact control over the size and depth of the probed tissue volume. We show that low-coherence spectroscopy (LCS) overcomes these limitations by measuring local attenuation and absorption coefficient spectra in layered phantoms. In addition, we demonstrate the first in vivo LCS measurements of the human epidermis and dermis only. From the measured absorption in two distinct regions of the dermal microcirculation, we determine total hemoglobin concentration (3.0+/-0.5 g/l and 7.8+/-1.2 g/l) and oxygen saturation.

  18. In vivo low-coherence spectroscopic measurements of local hemoglobin absorption spectra in human skin.

    PubMed

    Bosschaart, Nienke; Faber, Dirk J; van Leeuwen, Ton G; Aalders, Maurice C G

    2011-10-01

    Localized spectroscopic measurements of optical properties are invaluable for diagnostic applications that involve layered tissue structures, but conventional spectroscopic techniques lack exact control over the size and depth of the probed tissue volume. We show that low-coherence spectroscopy (LCS) overcomes these limitations by measuring local attenuation and absorption coefficient spectra in layered phantoms. In addition, we demonstrate the first in vivo LCS measurements of the human epidermis and dermis only. From the measured absorption in two distinct regions of the dermal microcirculation, we determine total hemoglobin concentration (3.0±0.5 g∕l and 7.8±1.2 g∕l) and oxygen saturation.

  19. Probing re-ionization with quasar spectra: the impact of the intrinsic Lyman α emission line shape uncertainty

    NASA Astrophysics Data System (ADS)

    Kramer, R. H.; Haiman, Z.

    2009-12-01

    Arguably the best hope of understanding the tail end of the re-ionization of the intergalactic medium (IGM) at redshift z > 6 is through the detection and characterization of the Gunn-Peterson damping wing absorption of the IGM in bright quasar spectra. However, the use of quasar spectra to measure the IGM damping wing requires a model of the quasar's intrinsic Lyman α emission line. Here we quantify the uncertainties in the intrinsic line shapes, and how those uncertainties affect the determination of the IGM neutral fraction. We have assembled a catalogue of high-resolution Hubble Space Telescope spectra of the emission lines of unobscured low-redshift quasars, and have characterized the variance in the shapes of their lines. We then add simulated absorption from the high-redshift IGM to these quasar spectra in order to determine the corresponding uncertainties in re-ionization constraints using current and future samples of z > 6 quasar spectra. We find that, if the redshift of the Lyman α emission line is presumed to coincide with the systemic redshift determined from metal lines, the inferred IGM neutral fraction is systematically biased to low values due to a systematic blueshift of the Lyman α line relative to the metal lines. If a similar blueshift persists in quasars at z > 6, this bias strengthens previous claims of a significant neutral hydrogen fraction at z ~ 6. The bias can be reduced by including a Lyman α blueshift in the modelling procedure, or by excising wavelengths near the Lyman α line centre from the modelling. Intrinsic Lyman α line shape variations still induce significant scatter in the inferred xIGM values. Nevertheless, this scatter still allows a robust distinction between a highly ionized (xIGM ~ 10-3) and a neutral (xIGM = 1) IGM with even a few bright quasars. We conclude that if the variations of the intrinsic Lyman α emission line shapes in high-z quasars are similar to those at low-z, this variation will not limit the

  20. 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.

  1. 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.

  2. VERY LARGE TELESCOPE SPECTROPOLARIMETRY OF BROAD ABSORPTION LINE QSOs

    SciTech Connect

    DiPompeo, M. A.; Brotherton, M. S.; De Breuck, C.

    2011-03-15

    We present spectropolarimetry of 19 confirmed and four possible bright, southern broad absorption line (BAL) quasars from the European Southern Observatory Very Large Telescope. A wide range of redshifts is covered in the sample (from 0.9 to 3.4), and both low- and high-ionization quasars are represented, as well as radio-loud and radio-quiet BALQSOs. We continue to confirm previously established spectropolarimetric properties of BALQSOs, including the generally rising continuum polarization with shorter wavelengths and comparatively large fraction with high broadband polarization (6 of 19 with polarizations >2%). Emission lines are polarized less than or similar to the continuum, except in a few unusual cases, and absorption troughs tend to have higher polarizations. A search for correlations between polarization properties has been done, identifying two significant or marginally significant correlations. These are an increase in continuum polarization with decreasing optical luminosity (increasing absolute B magnitude) and decreasing C IV emission-line polarization with increased continuum polarization.

  3. Analyzing absorption and scattering spectra of micro-scale structures with spectroscopic optical coherence tomography.

    PubMed

    Yi, Ji; Gong, Jianmin; Li, Xu

    2009-07-20

    We demonstrate the feasibility of characterizing the absorption and scattering spectra of micron-scale structures in a turbid medium using a spectroscopic optical coherence tomography (SOCT) system with a bandwidth of 430-650 nm. SOCT measurements are taken from phantoms composed of fluorescent microspheres. The absorption and scattering spectra are recovered with proper selections of spatial window width in the post processing step. Furthermore, we present an analysis using numerical OCT simulation based on full-wave solutions of the Maxwell's Equation to elucidate the origination of the multiple peaks in the OCT image for a single microsphere. Finally, we demonstrate the possibility of identifying contrast agents concentrated in micron-sized scale in an SOCT image. Two different types of microspheres in gel phantom are discriminated based on their distinguished absorbent feature.

  4. Impact of different visible light spectra on oxygen absorption and surface discoloration of bologna sausage.

    PubMed

    Böhner, Nadine; Rieblinger, Klaus

    2016-11-01

    The objective of this study was to evaluate the influence of several visible light spectra in various intensities on the oxygen absorption and surface color of sliced bologna. Sausage samples were stored in a gastight model packaging system and illuminated at 5°C with six single-colored LEDs covering the main part of the visible light spectrum. The initial oxygen level was set at 0.5% in order to simulate common residual oxygen amounts in conventional packaging. The oxygen absorption and the discoloration measured as changes in CIE a*-value were dependent from the applied light intensity. The color stability of bologna was differently affected by light of various wavelengths. The results show that the use of suitable LEDs with specific spectra for display illumination can help to reduce the light induced deterioration of cured sausages in retail markets. Copyright © 2016 Elsevier Ltd. All rights reserved.

  5. Three-dimensional time-dependent wave-packet calculations of OBrO absorption spectra

    NASA Astrophysics Data System (ADS)

    Yuan, Kai-Jun; Sun, Zhigang; Cong, Shu-Lin; Lou, Nanquan

    2005-08-01

    The absorption spectra of the C(A22)←X(B12) transition of the OBrO molecule are calculated using three-dimensional time-dependent wave-packet method in Radau coordinates for a total angular momentum J =0. The wave packet is propagated using the split operator technique associated with fast Fourier transform. Employing the basis functions obtained by one-dimensional Fourier grid Hamiltonian method, the initial wave packet is calculated directly on the three-dimensional Fourier grid. The numerical model is characterized by simplicity and efficiency. The ab initio potential surfaces for the C(A22) and X(B12) states are used in the calculation. The calculated absorption spectra of the C(A22)←X(B12) transition of OBrO molecule agree well with the experimental results.

  6. Constraining the variation of the fine-structure constant with observations of narrow quasar absorption lines

    SciTech Connect

    Songaila, A.; Cowie, L. L.

    2014-10-01

    The unequivocal demonstration of temporal or spatial variability in a fundamental constant of nature would be of enormous significance. Recent attempts to measure the variability of the fine-structure constant α over cosmological time, using high-resolution spectra of high-redshift quasars observed with 10 m class telescopes, have produced conflicting results. We use the many multiplet (MM) method with Mg II and Fe II lines on very high signal-to-noise, high-resolution (R = 72, 000) Keck HIRES spectra of eight narrow quasar absorption systems. We consider both systematic uncertainties in spectrograph wavelength calibration and also velocity offsets introduced by complex velocity structure in even apparently simple and weak narrow lines and analyze their effect on claimed variations in α. We find no significant change in α, Δα/α = (0.43 ± 0.34) × 10{sup –5}, in the redshift range z = 0.7-1.5, where this includes both statistical and systematic errors. We also show that the scatter in measurements of Δα/α arising from absorption line structure can be considerably larger than assigned statistical errors even for apparently simple and narrow absorption systems. We find a null result of Δα/α = (– 0.59 ± 0.55) × 10{sup –5} in a system at z = 1.7382 using lines of Cr II, Zn II, and Mn II, whereas using Cr II and Zn II lines in a system at z = 1.6614 we find a systematic velocity trend that, if interpreted as a shift in α, would correspond to Δα/α = (1.88 ± 0.47) × 10{sup –5}, where both results include both statistical and systematic errors. This latter result is almost certainly caused by varying ionic abundances in subcomponents of the line: using Mn II, Ni II, and Cr II in the analysis changes the result to Δα/α = (– 0.47 ± 0.53) × 10{sup –5}. Combining the Mg II and Fe II results with estimates based on Mn II, Ni II, and Cr II gives Δα/α = (– 0.01 ± 0.26) × 10{sup –5}. We conclude that spectroscopic measurements of

  7. Constraining the Variation of the Fine-structure Constant with Observations of Narrow Quasar Absorption Lines

    NASA Astrophysics Data System (ADS)

    Songaila, A.; Cowie, L. L.

    2014-10-01

    The unequivocal demonstration of temporal or spatial variability in a fundamental constant of nature would be of enormous significance. Recent attempts to measure the variability of the fine-structure constant α over cosmological time, using high-resolution spectra of high-redshift quasars observed with 10 m class telescopes, have produced conflicting results. We use the many multiplet (MM) method with Mg II and Fe II lines on very high signal-to-noise, high-resolution (R = 72, 000) Keck HIRES spectra of eight narrow quasar absorption systems. We consider both systematic uncertainties in spectrograph wavelength calibration and also velocity offsets introduced by complex velocity structure in even apparently simple and weak narrow lines and analyze their effect on claimed variations in α. We find no significant change in α, Δα/α = (0.43 ± 0.34) × 10-5, in the redshift range z = 0.7-1.5, where this includes both statistical and systematic errors. We also show that the scatter in measurements of Δα/α arising from absorption line structure can be considerably larger than assigned statistical errors even for apparently simple and narrow absorption systems. We find a null result of Δα/α = (- 0.59 ± 0.55) × 10-5 in a system at z = 1.7382 using lines of Cr II, Zn II, and Mn II, whereas using Cr II and Zn II lines in a system at z = 1.6614 we find a systematic velocity trend that, if interpreted as a shift in α, would correspond to Δα/α = (1.88 ± 0.47) × 10-5, where both results include both statistical and systematic errors. This latter result is almost certainly caused by varying ionic abundances in subcomponents of the line: using Mn II, Ni II, and Cr II in the analysis changes the result to Δα/α = (- 0.47 ± 0.53) × 10-5. Combining the Mg II and Fe II results with estimates based on Mn II, Ni II, and Cr II gives Δα/α = (- 0.01 ± 0.26) × 10-5. We conclude that spectroscopic measurements of quasar absorption lines are not yet capable of

  8. Modeling of fluorescence line-narrowed spectra in weakly coupled dimers in the presence of excitation energy transfer

    SciTech Connect

    Lin, Chen; Reppert, Mike; Feng, Ximao; Jankowiak, Ryszard

    2014-07-21

    This work describes simple analytical formulas to describe the fluorescence line-narrowed (FLN) spectra of weakly coupled chromophores in the presence of excitation energy transfer (EET). Modeling studies for dimer systems (assuming low fluence and weak coupling) show that the FLN spectra (including absorption and emission spectra) calculated for various dimers using our model are in good agreement with spectra calculated by: (i) the simple convolution method and (ii) the more rigorous treatment using the Redfield approach [T. Renger and R. A. Marcus, J. Chem. Phys. 116, 9997 (2002)]. The calculated FLN spectra in the presence of EET of all three approaches are very similar. We argue that our approach provides a simplified and computationally more efficient description of FLN spectra in the presence of EET. This method also has been applied to FLN spectra obtained for the CP47 antenna complex of Photosystem II reported by Neupane et al. [J. Am. Chem. Soc. 132, 4214 (2010)], which indicated the presence of uncorrelated EET between pigments contributing to the two lowest energy (overlapping) exciton states, each mostly localized on a single chromophore. Calculated and experimental FLN spectra for CP47 complex show very good qualitative agreement.

  9. Emission and absorption spectra of some bridged 1,5-benzodiazepines

    NASA Astrophysics Data System (ADS)

    Mellor, J. M.; Pathirana, R. N.; Stibbard, J. H. A.

    Absorption spectra in neutral and acidic media are reported for a series of bridged 1,5-benzodiazepines, which are unable to tautomerize. Comparison is made with non-bridged 1,5-benzodiazepines capable of tautomeric rearrangement. Both bridged and non-bridged 1,5-benzodiazepines are essentially non-fluorescent due to the "proximity effect" of interaction between singlet ηπ* and ππ* states of similar energy, a phenomenon previously recognised in six-membered nitrogen heterocycles.

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

    DTIC Science & Technology

    2013-08-20

    the calculated absorption spectra of isolated molecules can help to identify intramolecular vibrational modes of various materials. A series of...Transformation A molecule in 3-dimensions has a total of 3N-6 normal mode vibrations . The Schrodinger equation for the harmonic...oscillations of these normal modes has known solutions. The quantum mechanical spectrum of each of these vibrations is given in the harmonic approximation

  11. Ab initio study of optical absorption spectra of semiconductors and conjugated polymers

    SciTech Connect

    Tiago, M.L.; Chang, Eric K.; Rohlfing, Michael; Louie, Steven G.

    2000-04-30

    The effects of electron-hole interaction on the optical properties of a variety of materials have been calculated using an ab initio method based on solving the Bethe-Salpeter equation. Results on selected semiconductors, insulators, and semiconducting polymers are presented. In the cases of alpha-quartz (SiO2) and poly-phenylene-vinylene, resonant excitonic states qualitatively alter the absorption spectra.

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

    PubMed

    Mosquera, Martín A; Jackson, Nicholas E; Fauvell, Thomas J; Kelley, Matthew S; Chen, Lin X; Schatz, George C; Ratner, Mark A

    2017-03-15

    The theoretical description of the time-evolution 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 the 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 developments in theoretical transient spectroscopy to include nonadiabatic effects, coherences, and to describe the formation of species such as charge-transfer states and polaron pairs.

  13. High-resolution Absorption Spectra of Acetylene in 142.8-152.3 nm

    NASA Astrophysics Data System (ADS)

    Hu, Ya-hua; Zhen, Chen; Dai, Jing-hua; Zhou, Xiao-guo; Liu, Shi-lin

    2008-10-01

    The absorption spectra of acetylene molecules was measured under jet-cooled conditions in the wavelength range of 142.8-152.3 nm, with a tunable and highly resolved vacuum ultraviolet (VUV) laser generated by two-photon resonant four wave difference frequency mixing processes. Due to the sufficient vibrational and rotational cooling effect of the molecular beam and the higher resolution VUV laser, the observed absorption spectra exhibit more distinct spectral features than the previous works measured at room temperature. The major three vibrational bands are assigned as a C-C symmetry stretching vibrational progress (u2 = 0-2) of the tilde C1 IIu state of acetylene. The observed shoulder peak at 148.2 nm is assigned to the first overtone band of the trans-bending mode u4 of the tilde C1 IIustate of acetylene. Additionally, the two components, 4o2(μ1IIu) and 4o2(κ1 IIuare suggested to exhibit in the present absorption spectra, due to their Renner-Teller effect and transition selection rule. All band origins and bandwidths are obtained subsequently, and it is found that bandwidths are broadened and lifetimes decrease gradually with the excitation of vibration.

  14. Algae (Microcystis and Scenedesmus) absorption spectra and its application on Chlorophyll a retrieval

    NASA Astrophysics Data System (ADS)

    Wu, Di; Chen, Maosi; Wang, Qiao; Gao, Wei

    2013-12-01

    Blue algae and green algae are the dominant phytoplankton groups that contribute to the eutrophication and the water bloom in inland water of China. The absorption coefficients (spectra) of the algae, which do not change with its intrinsic optical characteristics and the observation geometry, are strictly additive quantities. The characteristics of the absorption spectra of the two algae are presented. The pure blue algae and the pure green algae cultured in the laboratory environment are diluted and mixed at ten volume ratios. The Quantitative Filter Technique was applied to measure their absorption spectra. The "hot-ethanol extraction" method was chosen to calculate their concentration of Chlorophyll a. The retrieval algorithm developed in this study extracts the mapping information between each individual alga and their Chlorophyll a concentration via Continuous Wavelet Transform, and retrieves the Chlorophyll a concentration of each alga in their mixture using a trust region optimizer. The results show that the retrieved and the measured Chlorophyll a concentrations of the blue algae and the green algae components in the ten mixture match well with the average relative error of 5.55%.

  15. The electronic absorption spectra of pyridine azides, solvent-solute interaction.

    PubMed

    Abu-Eittah, Rafie H; Khedr, Mahmoud K

    2009-01-01

    The electronic absorption spectra of: 2-, 3-, and 4-azidopyridines have been investigated in a wide variety of polar and non-polar solvents. According to Onsager model, the studied spectra indicate that the orientation polarization of solvent dipoles affects the electronic spectrum much stronger than the induction polarization of solvent dipoles. The effect of solvent dipole moment predominates that of solvent refractive index in determining the values of band maxima of an electronic spectrum. The spectra of azidopyridines differ basically from these of pyridine or mono-substituted pyridine. Results at hand indicate that the azide group perturbs the pyridine ring in the case of 3-azidopyridine much more than it does in the case of 2-azidopyridine. This result agrees with the predictions of the resonance theory. Although the equilibrium <==> azide tetrazole is well known, yet the observed spectra prove that such an equilibrium does not exist at the studied conditions. The spectra of the studied azidopyridines are characterized by the existence of overlapping transitions. Gaussian analysis is used to obtain nice, resolved spectra. All the observed bands correspond to pi-->pi* transitions, n-->pi* may be overlapped with the stronger pi-->pi* ones.

  16. Spectroscopic Parameters for Ozone and its Isotopes: Current Status, Prospects for Improvement, and the Identification of 16O16O17O and O-16O-16O-17 and O-16O-17O-16 Lines in Infrared Ground-Based and Stratospheric Solar Absorption Spectra

    NASA Technical Reports Server (NTRS)

    Rinsland, C. P.; Flaud, J.-M.; Goldman, A.; Perrin, A.; Camy-Peyret, C.; Smith, M. A. H.; Devi, V. Malathy; Benner, D. C.; Barbe, A.; Stephens, T. M.; hide

    1998-01-01

    We describe the updates to the spectroscopic parameters of ozone and its isotopes in the 1996 HITRAN compilation. Recent published studies not included in HITRAN are also summarized. Finally, we report the identification of infrared lines of the v(sub 3) bands of O-16O-16O-17 and O-16O-17O-16 in high-resolution solar spectra recorded by stratospheric balloon-borne and ground-based Fourier transform spectrometers.

  17. Theoretical interpretation of the vacuum ultraviolet reflectance of liquid helium and of the absorption spectra of helium microbubbles in aluminum

    NASA Astrophysics Data System (ADS)

    Lucas, A. A.; Vigneron, J. P.; Donnelly, S. E.; Rife, J. C.

    1983-09-01

    The position and width of the helium resonance line 11S0-->21P1 are calculated for a high-density helium fluid. The theory aims at understanding the reflectivity data of Surko et al. for the low-temperature liquid-vapor interface and the absorption data of Rife et al. for room-temperature, high-pressure helium bubbles in aluminum. The theoretical ingredients of the model are (i) the long-range dipole interaction of an excited 2P atom with the rest of the fluid and with the metal substrate; (ii) the short-range Pauli pseudorepulsion arising from orthogonalization of the 2p-electron wave function with the 1s ground-state orbital of neighboring atoms; (iii) a statistical treatment of the high-density fluid based either on the experimentally measured radial pair distribution function of low-T liquid He, or on the Percus-Yevick distribution function of hard spheres and the theoretical equation of state of Young et al. for the He fluid in the bubbles; (iv) the standard static line-broadening theory to calculate the effect of Pauli repulsion on the line shapes. The theory provides a reasonably accurate understanding of the observed spectra in both the liquid and high-density gas, and can serve as a sound basis for interpretation of vacuum ultraviolet spectra in other gas-metal combinations.

  18. 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.

  19. Photon-photon absorption and the uniqueness of the spectra of active galactic nuclei

    NASA Technical Reports Server (NTRS)

    Kazanas, D.

    1984-01-01

    The effects of the feedback of e(+)-e(-) pair reinjection in a plasma due to photon-photon absorption of its own radiation was examined. Under the assumption of continuous electron injection with a power law spectrum E to the minus gamma power and Compton losses only, it is shown that for gamma 2 the steady state electron distribution function has a unique form independent of the primary injection spectrum. This electron distribution function can, by synchrotron emission, reproduce the general characteristics of the observed radio to optical active galactic nuclei spectra. Inverse Compton scattering of the synchrotron photons by the same electron distribution can account for their X-ray spectra, and also implies gamma ray emission from these objects. This result is invoked to account for the similarity of these spectra, and it is consistent with observations of the diffuse gamma ray background.

  20. Photoionization Modeling of Oxygen K Absorption in the Interstellar Medium: The Chandra Grating Spectra of XTE J1817-330

    NASA Astrophysics Data System (ADS)

    Gatuzz, E.; García, J.; Mendoza, C.; Kallman, T. R.; Witthoeft, M.; Lohfink, A.; Bautista, M. A.; Palmeri, P.; Quinet, P.

    2013-05-01

    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 Å 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 Å) 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 H = 1.38 ± 0.01 × 1021 cm-2 an ionization parameter of log ξ = -2.70 ± 0.023; an oxygen abundance of A_O= 0.689^{+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 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_O=0.952^{+0.020}_{-0.013}, a value close to solar that reinforces the new standard. We identify several atomic absorption lines—Kα, Kβ, and Kγ in O I and O II and Kα in O III, O VI, and O 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 > 2 associated with ISM cold absorption.

  1. 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.

  2. TDDFT prediction of UV-vis absorption and emission spectra of tocopherols in different media.

    PubMed

    Bakhouche, Kahina; Dhaouadi, Zoubeida; Lahmar, Souad; Hammoutène, Dalila

    2015-06-01

    We use the TDDFT/PBE0/6-31+G* method to determine the electronic absorption and emission energies, in different media, of the four forms of tocopherol, which differ by the number and the position of methyl groups on the chromanol. Geometries of the ground state S0 and the first singlet excited state S1 were optimized in the gas phase, and various solvents. The solvent effect is evaluated using an implicit solvation model (IEF-PCM). Our results are compared to the experimental ones obtained for the vitamin E content in several vegetable oils. For all forms of tocopherols, the HOMO-LUMO first vertical excitation is a π-π* transition. Gas phase and non-polar solvents (benzene and toluene) give higher absorption wavelengths than polar solvents (acetone, ethanol, methanol, DMSO, and water); this can be interpreted by a coplanarity between the O-H group and the chroman, allowing a better electronic resonance of the oxygen lone pairs and the aromatic ring, and therefore giving an important absorption wavelength, whereas the polar solvents give high emission wavelengths comparatively to gas phase and non-polar solvents. Fluorescence spectra permit the determination, the separation, and the identification of the four forms of tocopherols by a large difference in emission wavelength values. Graphical Abstract Scheme from process methodological to obtain the absorption and emission spectra for tocopherols.

  3. 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.

  4. Systematic trend of water vapour absorption in red giant atmospheres revealed by high resolution TEXES 12 μm spectra

    NASA Astrophysics Data System (ADS)

    Ryde, N.; Lambert, J.; Farzone, M.; Richter, M. J.; Josselin, E.; Harper, G. M.; Eriksson, K.; Greathouse, T. K.

    2015-01-01

    Context. The structures of the outer atmospheres of red giants are very complex. Recent interpretations of a range of different observations have led to contradictory views of these regions. It is clear, however, that classical model photospheres are inadequate to describe the nature of the outer atmospheres. The notion of large optically thick molecular spheres around the stars (MOLspheres) has been invoked in order to explain spectro-interferometric observations and low- and high-resolution spectra. On the other hand high-resolution spectra in the mid-IR do not easily fit into this picture because they rule out any large sphere of water vapour in LTE surrounding red giants. Aims: In order to approach a unified scenario for these outer regions of red giants, more empirical evidence from different diagnostics are needed. Our aim here is to investigate high-resolution, mid-IR spectra for a range of red giants, spanning spectral types from early K to mid M. We want to study how the pure rotational lines of water vapour change with effective temperature, and whether we can find common properties that can put new constraints on the modelling of these regions, so that we can gain new insights. Methods: We have recorded mid-IR spectra at 12.2 - 12.4 μm at high spectral resolution of ten well-studied bright red giants, with TEXES mounted on the IRTF on Mauna Kea. These stars span effective temperatures from 3450 K to 4850 K. Results: We find that all red giants in our study cooler than 4300 K, spanning a wide range of effective temperatures (down to 3450 K), show water absorption lines stronger than expected and none are detected in emission, in line with what has been previously observed for a few stars. The strengths of the lines vary smoothly with spectral type. We identify several spectral features in the wavelength region that are undoubtedly formed in the photosphere. From a study of water-line ratios of the stars, we find that the excitation temperatures, in the

  5. Dust depletion of Ca and Ti in QSO absorption-line systems

    NASA Astrophysics Data System (ADS)

    Guber, C. R.; Richter, P.

    2016-06-01

    Aims: To explore the role of titanium- and calcium-dust depletion in gas in and around galaxies, we systematically study Ti/Ca abundance ratios in intervening absorption-line systems at low and high redshift. Methods: We investigate high-resolution optical spectra obtained by the UVES instrument at the Very Large Telescope (VLT) and spectroscopically analyze 34 absorption-line systems at z ≤ 0.5 to measure column densities (or limits) for Ca ii and Ti ii. We complement our UVES data set with previously published absorption-line data on Ti/Ca for redshifts up to z ~ 3.8. Our absorber sample contains 110 absorbers including damped Lyman α systems (DLAs), sub-DLAs, and Lyman-Limit systems (LLS). We compare our Ti/Ca findings with results from the Milky Way and the Magellanic Clouds and discuss the properties of Ti/Ca absorbers in the general context of quasar absorption-line systems. Results: Our analysis indicates that there are two distinct populations of absorbers with either high or low Ti/Ca ratios with a separation at [Ti/Ca] ≈ 1. While the calcium-dust depletion in most of the absorbers appears to be severe, the titanium depletions are mild in systems with high Ti/Ca ratios. The derived trend indicates that absorbers with high Ti/Ca ratios have dust-to-gas ratios that are substantially lower than in the Milky Way. We characterize the overall nature of the absorbers by correlating Ti/Ca with other observables (e.g., metallicity, velocity-component structure) and by modeling the ionization properties of singly-ionized Ca and Ti in different environments. Conclusions: We conclude that Ca ii and Ti ii bearing absorption-line systems trace predominantly neutral gas in the disks and inner halo regions of galaxies, where the abundance of Ca and Ti reflects the local metal and dust content of the gas. Our study suggests that the Ti/Ca ratio represents a useful measure for the gas-to-dust ratio and overall metallicity in intervening absorption-line systems.

  6. 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.

  7. Ultraviolet absorption lines associated with the Vela supernova remnant

    NASA Technical Reports Server (NTRS)

    Jenkins, E. B.; Wallerstein, G.; Silk, J.

    1976-01-01

    Two stars behind the Vela supernova remnant and two stars offset from the remnant have been observed with the UV spectrometer aboard the Copernicus satellite. Over 200 interstellar atomic and molecular absorption features between 1000 and 1400 A have been identified and measured for radial velocity and equivalent width. In many cases, additional information was obtained by studying the detailed shapes of the recorded profiles. Most of the stars show several absorption components, with clouds of the highest radial velocity appearing in the spectra of stars behind the remnant. For each component, column densities were derived using velocity dispersion parameters which yielded the most self-consistent results. Qualitatively, the gas toward the remnant exhibits a number of unusual properties, when compared with normal interstellar material. First, abnormally high radial velocities were evident. Second, the degree of ionization of some elements suggested the existence of ionizing processes significantly more potent than those found in general regions of space. Finally, an investigation of electron densities shows that much of the gas, especially that at high velocity, must exist in the form of relatively thin sheets or filaments. If cosmic abundances prevail, the column densities of high-velocity excited material suggest that H-alpha emission measures could be as large as 100 sq cm/cu pc.

  8. Ultraviolet absorption lines associated with the Vela supernova remnant

    NASA Technical Reports Server (NTRS)

    Jenkins, E. B.; Wallerstein, G.; Silk, J.

    1976-01-01

    Two stars behind the Vela supernova remnant and two stars offset from the remnant have been observed with the UV spectrometer aboard the Copernicus satellite. Over 200 interstellar atomic and molecular absorption features between 1000 and 1400 A have been identified and measured for radial velocity and equivalent width. In many cases, additional information was obtained by studying the detailed shapes of the recorded profiles. Most of the stars show several absorption components, with clouds of the highest radial velocity appearing in the spectra of stars behind the remnant. For each component, column densities were derived using velocity dispersion parameters which yielded the most self-consistent results. Qualitatively, the gas toward the remnant exhibits a number of unusual properties, when compared with normal interstellar material. First, abnormally high radial velocities were evident. Second, the degree of ionization of some elements suggested the existence of ionizing processes significantly more potent than those found in general regions of space. Finally, an investigation of electron densities shows that much of the gas, especially that at high velocity, must exist in the form of relatively thin sheets or filaments. If cosmic abundances prevail, the column densities of high-velocity excited material suggest that H-alpha emission measures could be as large as 100 sq cm/cu pc.

  9. XMM-Newton observations of GX 13 + 1: correlation between photoionised absorption and broad line emission

    NASA Astrophysics Data System (ADS)

    Díaz Trigo, M.; Sidoli, L.; Boirin, L.; Parmar, A. N.

    2012-07-01

    We analysed data from five XMM-Newton observations of GX 13 + 1 to investigate the variability of the photo-ionised absorber in this source. We fitted EPIC and RGS spectra obtained from the "least-variable" intervals with a model consisting of disc-blackbody and blackbody components together with a Gaussian emission feature at ~6.55-6.7 keV modified by absorption due to cold and photo-ionised material. We found a significant correlation between the hard, ~6-10 keV, flux, the ionisation and column density of the absorber and the equivalent width of the broad iron line. We interpret the correlation in a scenario in which a disc wind is thermally driven at large, ~1010 cm, radii and the broad line results from reprocessed emission in the wind and/or hot atmosphere. The breadth of the emission line is naturally explained by a combination of scattering, recombination and fluorescence processes. We attribute the variations in the absorption and emission along the orbital period to the view of different parts of the wind, possibly located at slightly different inclination angles. We constrain the inclination of GX 13 + 1 to be between 60 and 80° from the strong absorption in the line of sight, which obscures up to 80% of the total emission in one observation, and the absence of eclipses. We conclude that either a disc wind and/or a hot atmosphere can explain the current observations of narrow absorption and broad iron emission features in neutron star low-mass X-ray binaries as a class.

  10. VizieR Online Data Catalog: HeI* in broad absorption line QSOs (Liu+, 2015)

    NASA Astrophysics Data System (ADS)

    Liu, W.-J.; Zhou, H.; Ji, T.; Yuan, W.; Wang, T.-G.; Jian, G.; Shi, X.; Zhang, S.; Jiang, P.; Shu, X.; Wang, H.; Wang, S.-F.; Sun, L.; Yang, C.; Liu, B.; Zhao, W.

    2015-04-01

    Neutral helium multiplets, HeI*λλ3189, 3889, 10830, are very useful diagnostics for the geometry and physical conditions of the absorbing gas in quasars. So far only a handful of HeI* detections have been reported. Using a newly developed method, we detected the HeI*λ3889 absorption line in 101 sources of a well-defined sample of 285 MgII broad absorption line (BAL) quasars selected from SDSS DR5. This has increased the number of HeI* BAL quasars by more than one order of magnitude. We further detected HeI*λ3189 in 50% (52/101) of the quasars in the sample. The detection fraction of HeI* BALs in MgII BAL quasars is ~35% as a whole, and it increases dramatically with increasing spectral signal-to-noise ratio (S/N), from ~18% at S/N<=10 to ~93% at S/N>=35. This suggests that HeI* BALs could be detected in most MgII LoBAL quasars, provided the spectra S/N is high enough. Such a surprisingly high HeI* BAL fraction is actually predicted from photoionization calculations based on a simple BAL model. The result indicates that HeI* absorption lines can be used to search for BAL quasars at low z, which cannot be identified by ground-based optical spectroscopic surveys with commonly seen UV absorption lines. Using HeI*λ3889, we discovered 19 BAL quasars at z<0.3 from the available SDSS spectral database. The fraction of HeI* BAL quasars is similar to that of LoBAL objects. (7 data files).

  11. Spectra of polarized thermal radiation in a cloudy atmosphere: Line-by-Line and Monte Carlo model for passive remote sensing of cirrus and polar clouds

    NASA Astrophysics Data System (ADS)

    Fomin, Boris; Falaleeva, Victoria

    2016-07-01

    A polarized high-resolution 1-D model has been presented for TIR (Thermal Infrared) remote sensing application. It is based on the original versions of MC (Monte Carlo) and LbL (Line-by-Line) algorithms, which have shown their effectiveness when modelling the thermal radiation atmospheric transfer, taking into account, the semi-transparent Ci-type and polar clouds scattering, as well as the direct consideration of the spectra of molecular absorption. This model may be useful in the planning of satellite experiments and in the validation of similar models, which use the "k-distribution" or other approximations, to account for gaseous absorption. The example simulations demonstrate that, the selective gas absorption does not only significantly affect the absorption and emission of radiation, but also, its polarization in the Ci-type clouds. As a result, the spectra of polarized radiation contain important information about the clouds, and a high-resolution polarized limb sounding in the TIR, seems to be a useful tool in obtaining information on cloud types and their vertical structures.

  12. THE JHU-SDSS METAL ABSORPTION LINE CATALOG: REDSHIFT EVOLUTION AND PROPERTIES OF Mg II ABSORBERS

    SciTech Connect

    Zhu Guangtun; Menard, Brice

    2013-06-20

    We present a generic and fully automatic method aimed at detecting absorption lines in the spectra of astronomical objects. The algorithm estimates the source continuum flux using a dimensionality reduction technique and nonnegative matrix factorization, and then detects and identifies metal absorption lines. We apply it to a sample of {approx}10{sup 5} quasar spectra from the Sloan Digital Sky Survey and compile a sample of {approx}40,000 Mg II- and Fe II-absorber systems, spanning the redshift range 0.4 < z < 2.3. The corresponding catalog is publicly available. We study the statistical properties of these absorber systems and find that the rest equivalent width distribution of strong Mg II absorbers follows an exponential distribution at all redshifts, confirming previous studies. Combining our results with recent near-infrared observations of Mg II absorbers, we introduce a new parameterization that fully describes the incidence rate of these systems up to z {approx} 5. We find the redshift evolution of strong Mg II absorbers to be remarkably similar to the cosmic star formation history over 0.4 < z < 5.5 (the entire redshift range covered by observations), suggesting a physical link between these two quantities.

  13. Polarization and Broad Absorption Lines in Quasars-Repeat

    NASA Astrophysics Data System (ADS)

    Antonucci, Robert

    1990-12-01

    OI 287 is a unique extragalactic source. It appears to take one property from each class of object. It is either some kind of missing link, or a new type of activity. Because of the high optical polarization, OI 287 has been classified with the blazars. However, every other blazar is variable in optical flux, polarization, and polarization angle., while OI 287 is constant at V=17, P=8%, and theta=145 degrees. Also, every other blazar has a radio source dominated by an intense flat-spectrum core, while OI 287 has an upper limit of 2% of the total 20cm flux in the core. The only group of quasars which ever shows even moderate (2-5%) constant optical polarization is the broad absorption line (BAL) objects, e.g. PHL 5200 and H1413+113. Among the BAL quasars, PHL 5200 and H1413+113 have exceptionally smooth deep, attached absorption lines, and also the highest polarization. We want to know whether OI 287 is a BAL quasar. It would be the first definite radio loud example. If it is a BAL quasar then the high polarization is really related to (and perhaps the key to) the BAL phenomenon, and we can use the techniques of spectropolarimetry to help unlock the BAL geometry. The UV spectral shape would also provide help determining the cause of polarization.

  14. Self-absorption characteristics of measured laser-induced plasma line shapes

    NASA Astrophysics Data System (ADS)

    Parigger, C. G.; Surmick, D. M.; Gautam, G.

    2017-02-01

    The determination of electron density and temperature is reported from line-of-sight measurements of laser-induced plasma. Experiments are conducted in standard ambient temperature and pressure air and in a cell containing ultra-high-pure hydrogen slightly above atmospheric pressure. Spectra of the hydrogen Balmer series lines can be measured in laboratory air due to residual moisture following optical breakdown generated with 13 to 14 nanosecond, pulsed Nd:YAG laser radiation. Comparisons with spectra obtained in hydrogen gas yields Abel-inverted line shape appearances that indicate occurrence of self-absorption. The electron density and temperature distributions along the line of sight show near-spherical rings, expanding at or near the speed of sound in the hydrogen gas experiments. The temperatures in the hydrogen studies are obtained using Balmer series alpha, beta, gamma profiles. Over and above the application of empirical formulae to derive the electron density from hydrogen alpha width and shift, and from hydrogen beta width and peak-separation, so-called escape factors and the use of a doubling mirror are discussed.

  15. Absorption lines of {sup 127}I{sub 2} in the vicinity of emission lines of metal vapors

    SciTech Connect

    Mironov, A.V.; Privalov, V.E.; Savel`ev, S.K.

    1995-03-01

    Some details of the absorption spectrum of {sup 127}I{sub 2} in the vicinity of emission lines of selenium, cadmium, mercury, tin, and zinc are refined. Seventeen emission lines that are most free of the effect of overlap with the weaker absorption lines are revealed. 8 refs., 1 fig., 2 tabs.

  16. Detection of 12 micron MG I and OH lines in stellar spectra

    NASA Astrophysics Data System (ADS)

    Jennings, D. E.; Deming, D.; Wiedemann, G. R.; Keady, J. J.

    1986-11-01

    Infrared lines of Mg I and OH have been detected in stellar spectra near 12.3 microns. The Mg I 7i-6h transition was seen in Alpha Ori and Alpha Tau, and the R2e(23.5) and R1f(24.5) transitions of OH were seen in Alpha Ori. All lines appear in absorption, in contrast to the solar spectrum where the Mg I line shows a prominent emission core. The lack of emission in these low surface gravity stars is due to a greatly reduced volume recombination rate for the high-n states of Mg I, which is not fully compensated by the increased chromospheric scale height. The OH equivalent widths are sensitive to the temperature structure of the upper photosphere of Alpha Ori, and they indicate that the photosphere near tau 5000 of about 10 to the -5th is approximately 100 K hotter than is given by flux constant models. The OH measurements agree more closely with the 1981 semiemprical model of Basri, Linsky, and Eriksson (1981), which is based on Ca II and Mg II ultraviolet features.

  17. Detection of 12 micron Mg I and OH lines in stellar spectra

    NASA Technical Reports Server (NTRS)

    Jennings, D. E.; Deming, D.; Wiedemann, G. R.; Keady, J. J.

    1986-01-01

    Infrared lines of Mg I and OH have been detected in stellar spectra near 12.3 microns. The Mg I 7i-6h transition was seen in Alpha Ori and Alpha Tau, and the R2e(23.5) and R1f(24.5) transitions of OH were seen in Alpha Ori. All lines appear in absorption, in contrast to the solar spectrum where the Mg I line shows a prominent emission core. The lack of emission in these low surface gravity stars is due to a greatly reduced volume recombination rate for the high-n states of Mg I, which is not fully compensated by the increased chromospheric scale height. The OH equivalent widths are sensitive to the temperature structure of the upper photosphere of Alpha Ori, and they indicate that the photosphere near tau 5000 of about 10 to the -5th is approximately 100 K hotter than is given by flux constant models. The OH measurements agree more closely with the 1981 semiemprical model of Basri, Linsky, and Eriksson (1981), which is based on Ca II and Mg II ultraviolet features.

  18. Calculation of UV attenuation and colored dissolved organic matter absorption spectra from measurements of ocean color

    NASA Astrophysics Data System (ADS)

    Johannessen, S. C.; Miller, W. L.; Cullen, J. J.

    2003-09-01

    The absorption of ultraviolet and visible radiation by colored or chromophoric dissolved organic matter (CDOM) drives much of marine photochemistry. It also affects the penetration of ultraviolet radiation (UV) into the water column and can confound remote estimates of chlorophyll concentration. Measurements of ocean color from satellites can be used to predict UV attenuation and CDOM absorption spectra from relationships between visible reflectance, UV attenuation, and absorption by CDOM. Samples were taken from the Bering Sea and from the Mid-Atlantic Bight, and water types ranged from turbid, inshore waters to the Gulf Stream. We determined the following relationships between in situ visible radiance reflectance, Lu/Ed (λ) (sr-1), and diffuse attenuation of UV, Kd(λ) (m-1): Kd(323nm) = 0.781[Lu/Ed(412)/Lu/Ed(555)]-1.07; Kd(338nm) = 0.604[Lu/Ed(412)/Lu/Ed(555)]-1.12; Kd(380 nm) = 0.302[Lu/Ed(412)/Lu/Ed(555)]-1.24. Consistent with published observations, these empirical relationships predict that the spectral slope coefficient of CDOM absorption increases as diffuse attenuation of UV decreases. Excluding samples from turbid bays, the ratio of the CDOM absorption coefficient to Kd is 0.90 at 323 nm, 0.86 at 338 nm, and 0.97 at 380 nm. We applied these relationships to SeaWiFS images of normalized water-leaving radiance to calculate the CDOM absorption and UV attenuation in the Mid-Atlantic Bight in May, July, and August 1998. The images showed a decrease in UV attenuation from May to August of approximately 50%. We also produced images of the areal distribution of the spectral slope coefficient of CDOM absorption in the Georgia Bight. The spectral slope coefficient increased offshore and changed with season.

  19. 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

  20. 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

  1. 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

  2. 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.

  3. Specific effects of a polar solvent in optical absorption spectra of 1,2-naphthoquinone

    NASA Astrophysics Data System (ADS)

    Tseplin, E. E.; Tseplina, S. N.; Khvostenko, O. G.

    2016-02-01

    The optical absorption spectra of 1,2-naphthoquinone in polar (methanol) and nonpolar ( n-hexane) solvents are recorded. It is found that the specific effect of a polar solvent, which manifests itself in a hypsochromic shift of the first nπ* band and in a bathochromic shift of the second and third ππ* bands, is caused by the formation of hydrogen bonds between solvent molecules and the molecule under study and, as a result, by a change in the energy gap between the corresponding occupied and unoccupied molecular orbitals. This result is obtained by TDDFT B3LYP/6-311+G(d, p) calculations of electronic spectra, which, in the case of an isolated 1,2-naphthoquinone molecule, reproduce its experimental optical absorption spectra in n-hexane and, in the case of the same molecule forming a complex with methanol molecules by means of hydrogen bonds, reproduce the spectrum of 1,2-naphthoquinone in methanol.

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

    SciTech Connect

    Liu, W. L.; Zheng, Z. R.; Liu, Z. G.; Zhu, R. B.; Wu, W. Z.; Li, A. H.; Yang, Y. Q.; Dai, Z. F.; Su, W. H.

    2008-03-28

    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 because 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.

  5. Infrared absorption spectra, radiative efficiencies, and global warming potentials of perfluorocarbons: Comparison between experiment and theory

    NASA Astrophysics Data System (ADS)

    Bravo, IváN.; Aranda, Alfonso; Hurley, Michael D.; Marston, George; Nutt, David R.; Shine, Keith P.; Smith, Kevin; Wallington, Timothy J.

    2010-12-01

    Experimentally and theoretically determined infrared spectra are reported for a series of straight-chain perfluorocarbons: C2F6, C3F8, C4F10, C5F12, C6F14, and C8F18. Theoretical spectra were determined using both density functional (DFT) and ab initio methods. Radiative efficiencies (REs) were determined using the method of Pinnock et al. (1995) and combined with atmospheric lifetimes from the literature to determine global warming potentials (GWPs). Theoretically determined absorption cross sections were within 10% of experimentally determined values. Despite being much less computationally expensive, DFT calculations were generally found to perform better than ab initio methods. There is a strong wavenumber dependence of radiative forcing in the region of the fundamental C-F vibration, and small differences in wavelength between band positions determined by theory and experiment have a significant impact on the REs. We apply an empirical correction to the theoretical spectra and then test this correction on a number of branched chain and cyclic perfluoroalkanes. We then compute absorption cross sections, REs, and GWPs for an additional set of perfluoroalkenes.

  6. Effects of Spectralon absorption on reflectance spectra of typical planetary surface analog materials.

    PubMed

    Zhang, Hao; Yang, Yazhou; Jin, Weidong; Liu, Chujian; Hsu, Weibiao

    2014-09-08

    Acquiring accurate visible and near-infrared (VisNIR) reflectance values of atmosphereless celestial bodies is very important in inferring the physical and geological properties of their surficial materials. When a calibration target with inherent non-trivial absorption features is used, the calibrated reflectance would essentially always contain spurious spectral features and the spectroscopic data may easily be misinterpreted if the artifact is not properly taken care of. We demonstrate with laboratory reflectance measurements that the VisNIR spectra of three typical planetary surface analog materials, lunar simulant JSC-1A, olivine and pyroxene grains, have an artificial peak at 2.1 µm when Spectralon-type plaque made of polytetrafluoroethylene is used as the calibration target in the NIR region. The degree of severity of this artifact is dependent on the strength of the 2.0 µm absorption feature of the mineral. Empirical methods are proposed to remove this artifact to bring the spectra close to that calibrated by a gold mirror which does not have any conspicuous absorption features in the NIR region. The correction methods may be applied to reflectance data acquired by the VisNIR imaging spectrometer onboard the Yutu Rover of the Chinese Chang'E 3 lunar mission which employed an onboard Spectralon-type calibration target.

  7. Comparison between IR absorption and raman scattering spectra of liquid and supercritical 1-butanol.

    PubMed

    Sokolova, Maia; Barlow, Stephen J; Bondarenko, Galina V; Gorbaty, Yuri E; Poliakoff, Martyn

    2006-03-23

    Raman spectra of 1-butanol have been obtained at a constant pressure of 500 bar up to 350 degrees C and along isotherms 250, 300, and 350 degrees C up to 600 bar. The purpose of the experiment was to compare responses of Raman and IR absorption spectroscopy to the forming of O-H...O bonds in alcohols. As a result, some important inferences were drawn from the experiment. In particular, it has been estimated quantitatively how the intensity of Raman scattering in the region of the OH band depends on the extent of hydrogen bonding. As might be expected, the dependence is much weaker than in the case of the IR absorption. As was shown, the ratio of integrated intensities of bonded molecules in the absorption and scattering spectra is a constant and does not depend on temperature and density. The effect of cooperativity of hydrogen bonds is confirmed. It was also found that even at high pressures, a noticeable amount of nonbonded molecules exists at room temperature.

  8. Absorption spectra of electronic-homoeopathic copies of homoeopathic nosodes and placebo have essential differences.

    PubMed

    Korenbaum, Vladimir I; Chernysheva, Tatyana N; Apukhtina, Tatyana P; Sovetnikova, Lyudmila N

    2006-10-01

    Electronic-homoeopathic copies (EHC), i.e. preparations made by 'imprinting' the parent substance onto water (or other carriers) with the help of M. Rae devices, have gained certain acceptance in some fields of alternative medicine as homoeopathic nosodes. To verify the electronic-homoeopathic copying effect with the use of absorption spectroscopy. In a double-blind randomized procedure 7 homoeopathic nosodes and a blank placebo were 'imprinted' onto ampoules with saline solution by means of a 'simulator' apparatus by Metabolics Ltd (Wiltshire, UK). There were 63 ampoules of the EHC (9 of each nosode) and 27 ampoules of the placebo (3 groups). The absorption spectra of the preparations were determined by a UV-2101 PC (Shimadzu, Kyoto, Japan) double-beam spectrometer in the wave band 800-600 nm at an interval of 0.5 nm. The values of optical density - log (1/transmission coefficient) - were written. The absorption spectra of 3 EHC of the 7 homoeopathic nosodes investigated showed regions marked by statistically significant differences (p < 0.05 for 2 adjacent wavelengths) in the band of 800-700 nm in 2 (as a minimum) out of 3 independent placebo groups. When compared in independent groups of placebo, the spectral regions - for which the significant differences between the EHC and the placebo were evident - are close to each other (in the range of 0.5-7.0 nm). The result obtained supports the existence of an electronic-homoeopathic copying effect.

  9. Broad Balmer-Line Absorption in SDSS J172341.10+555340.5

    NASA Astrophysics Data System (ADS)

    Aoki, Kentaro

    2010-10-01

    We present the discovery of Balmer-line absorption from Hα to H9 in an iron low-ionizaton broad absorption line (FeLoBAL) quasar, SDSS J172341.10+555340.5, by near-infrared spectroscopy with the Cooled Infrared Spectrograph and Camera for OHS (CISCO) attached to the Subaru Telescope. The redshift of the Balmer-line absorption troughs is 2.0530±0.0003, and it is blueshifted by 5370 km s-1 from the Balmer emission lines. It is more than 4000 km s-1 blueshifted from the previously known UV absorption lines. We detected relatively strong (EWrest = 20 Å) [OIII] emission lines that are similar to those found in other broad absorption line quasars with Balmer-line absorption. We also derived the column density of neutral hydrogen of 5.2 × 1017 cm-2 by using the curve of growth and taking account of Lyα trapping. We searched for UV absorption lines that had the same redshift with Balmer-line absorption, and found Ali III and Fe III absorption lines at z = 2.053 that correspond to previously unidentified absorption lines, and the presence of other blended troughs that were difficult to identify.

  10. Rototranslational absorption spectra of H/sub 2/-H/sub 2/ pairs in the far infrared

    SciTech Connect

    Meyer, W.; Frommhold, L.; Birnbaum, G.

    1989-03-01

    For the computation of the induced dipole moments, the collisional H/sub 2/-H/sub 2/ complex is treated as a molecule in the self-consistent field and size-consistent, coupled electron pair approximations. The basis set accounts for 95% of the correlation energies and separates correctly at distant range. The average of the induced dipole components is obtained for the case of both H/sub 2/ molecules in the vibrational groundstate (v = v' = 0) and recast in a simple but accurate analytical form. The analytical dipole expression is used for computations of the spectral moments (sum rules) and line shapes of the collision-induced rototranslational absorption spectra of molecular hydrogen in the far infrared, over a range of frequencies from 0 to 2200 cm/sup -1/, and for temperatures from 77 to 300 K, using a quantum formalism. Proven isotropic potential models are input. Numerical consistency of the line-shape calculations with the sum rules is observed at the 1% level. The comparison of the computational results with the available measurements shows agreement within the estimated uncertainties of the measurements of typically better than 10%. This fact suggests that the theory is capable of predicting these spectra reliably at temperatures for which no measurements exist.

  11. Measurement of Gas and Aerosol Phase Absorption Spectra across the Visible and Near-IR Using Supercontinuum Photoacoustic Spectroscopy.

    PubMed

    Radney, James G; Zangmeister, Christopher D

    2015-07-21

    We demonstrate a method to measure the absorption spectra of gas and aerosol species across the visible and near-IR (500 to 840 nm) using a photoacoustic (PA) spectrometer and a pulsed supercontinuum laser source. Measurements of gas phase absorption spectra were demonstrated using H2O(g) as a function of relative humidity (RH). The measured absorption intensities and peak shapes were able to be quantified and compared to spectra calculated using the 2012 High Resolution Transmission (HITRAN2012) database. Size and mass selected nigrosin aerosol was used to measure absorption spectra across the visible and near-IR. Spectra were measured as a function of aerosol size/mass and show good agreement to Mie theory calculations. Lastly, we measured the broadband absorption spectrum of flame generated soot aerosol at 5% and 70% RH. For the high RH case, we are able to quantifiably separate the soot and water absorption contributions. For soot, we observe an enhancement in the mass specific absorption cross section ranging from 1.5 at 500 nm (p < 0.01) to 1.2 at 840 nm (p < 0.2) and a concomitant increase in the absorption Ångström exponent from 1.2 ± 0.4 (5% RH) to 1.6 ± 0.3 (70% RH).

  12. Determination of molecular line parameters for acrolein (C(3)H(4)O) using infrared tunable diode laser absorption spectroscopy.

    PubMed

    Harward, Charles N; Thweatt, W David; Baren, Randall E; Parrish, Milton E

    2006-04-01

    Acrolein (C(3)H(4)O) molecular line parameters, including infrared (IR) absorption positions, strengths, and nitrogen broadened half-widths, must be determined since they are not included in the high resolution transmission (HITRAN) molecular absorption database of spectral lines. These parameters are required for developing a quantitative analytical method for measuring acrolein in a single puff of cigarette smoke using tunable diode laser absorption spectroscopy (TDLAS). The task is complex since acrolein has many highly overlapping infrared absorption lines in the room temperature spectrum and the cigarette smoke matrix contains thousands of compounds. This work describes the procedure for estimating the molecular line parameters for these overlapping absorption lines in the wavenumber range (958.7-958.9 cm(-1)) using quantitative reference spectra taken with the infrared lead-salt TDLAS instrument at different pressures and concentrations. The nitrogen broadened half-width for acrolein is 0.0937 cm(-1)atm(-1) and to our knowledge, is the first time it has been reported in the literature.

  13. Determination of molecular line parameters for acrolein (C 3H 4O) using infrared tunable diode laser absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Harward, Charles N.; Thweatt, W. David; Baren, Randall E.; Parrish, Milton E.

    2006-04-01

    Acrolein (C 3H 4O) molecular line parameters, including infrared (IR) absorption positions, strengths, and nitrogen broadened half-widths, must be determined since they are not included in the high resolution transmission (HITRAN) molecular absorption database of spectral lines. These parameters are required for developing a quantitative analytical method for measuring acrolein in a single puff of cigarette smoke using tunable diode laser absorption spectroscopy (TDLAS). The task is complex since acrolein has many highly overlapping infrared absorption lines in the room temperature spectrum and the cigarette smoke matrix contains thousands of compounds. This work describes the procedure for estimating the molecular line parameters for these overlapping absorption lines in the wavenumber range (958.7-958.9 cm -1) using quantitative reference spectra taken with the infrared lead-salt TDLAS instrument at different pressures and concentrations. The nitrogen broadened half-width for acrolein is 0.0937 cm -1 atm -1 and to our knowledge, is the first time it has been reported in the literature.

  14. New aspects of absorption line formation in intervening turbulent clouds - II. Monte Carlo simulation of interstellar H+D Lyalpha absorption profiles

    NASA Astrophysics Data System (ADS)

    Levshakov, Sergei A.; Kegel, Wilhelm H.; Mazets, Igor E.

    1997-07-01

    Stochastic velocity fields with finite correlation lengths affect the formation of interstellar (intergalactic) absorption lines in a way not accounted for in the standard analysis procedure in which Voigt profiles are fitted to the observed line profiles. We investigate these effects, accounting in particular for the fact that interstellar absorption spectra reflect only one realization of the velocity field, since (i) actually only one line of sight is observed and (ii) the velocity structure of the cloud has to be considered to be `frozen' over the exposure time. This paper presents results of Monte Carlo calculations. In this technique an ensemble of line profiles is computed, each one of which corresponds to one realization of the random velocity field. The most important results are the following. (1) The individual line profiles may deviate substantially from each other and from the ensemble average. (2) Correlated velocity fields may cause complex multicomponent absorption features which in a traditional analysis would be attributed to several clouds, i.e. to density and/or kinetic temperature inhomogeneities. (3) Each line of sight has its own curve-of-growth. (4) Applying the standard analysis to such line profiles may produce misleading results concerning the physical parameters of the cloud. (5) In particular, the apparent scatter of the D/H ratio revealed in the ISM on the basis of the Copernicus, IUE, and HST observations may be caused by an inadequate analysis. Finally, we discuss under which conditions cloud characteristics may be derived from absorption lines without relying on a particular physical model.

  15. Probing the interstellar medium in Puppis-Vela through optical absorption line spectroscopy

    NASA Astrophysics Data System (ADS)

    Cha, Alexandra Nicole Stuehler

    2000-06-01

    The interstellar medium (ISM) toward Puppis-Vela (l = 245° to 275°, b = -15° to +5°) has been studied using high resolution, R ~ 75,000-90,000, high signal-to-noise, S/N ~ 100, optical Na I and Ca II absorption spectra along several hundred lines of sight. The distance of the Vela supernova remnant was found to be at d ~ 250 pc, a factor of two less than the canonical value. Lines of sight passing through the Vela supernova remnant were seen to have optical spectra that varied over epochs of a few years, including those toward HD 72089, HD 72127, HD 72997, HD 73658, HD 74455, HD 75309, and HD 75821. The variability of the first three lines of sight had been previously documented, but variability in the spectra toward the latter four stars had not been observed. An analysis of the Local ISM (d < 200 pc) toward Puppis-Vela is presented, and using both Na I absorption features and accurate distances to the stars, courtesy of Hipparcos trigonometric parallax data, spatially compact, homogeneous velocity components were mapped. In the Local ISM, the Puppis-Vela region abuts the apparent extension of the Local Bubble (or Cavity) known as the β CMa tunnel, and the compiled Na I lines of sight suggest that within 200 pc, the extent of the tunnel is confined to a region smaller than was previously thought. The technique of identifying and mapping individual velocity components in three dimensions was extended to the Puppis-Vela ISM out to d ~ 1 kpc, and a total of 7 velocity components were identified. Gas with velocities higher than that expected in the ambient ISM combined with higher than normal reddening was detected toward two regions, (l ~ 254°, b ~ -1°) and (l ~ 251°, b ~ -7°), suggesting the presence of previously unidentified structures. Nearby, gas associated with the IRAS Vela Shell was detected in Na I at distances >~ 300 pc. The Na I velocity components from IRAS Vela Shell sight lines were fit with a model of a spherically expanding filled sphere with

  16. Radio Structures of Compact Quasars with Broad Absorption Lines

    NASA Astrophysics Data System (ADS)

    Kunert-Bajraszewska, Magdalena; Gawroński, Marcin P.

    2010-05-01

    Broad absorption lines (BALs), seen in a small fraction of both the radio-quiet and radio-loud quasar populations, are probably caused by the outflow of gas with high velocities and are part of the accretion process. The presence of BALs is due to a geometrical effect and/or it is connected with the quasar evolution. Using the final release of FIRST survey combined with a catalog of BAL QSOs from SDSS/DR3, we have constructed a new sample of compact radio-loud BAL QSOs, which constitutes the majority of radio-loud BAL QSOs. The main goal of this project is to study the origin of BALs by analysis of the BAL QSOs radio morphology, orientation, and jet evolution using the European VLBI Network (EVN) at 1.6 GHz and the Very Long Baseline Array (VLBA) at 5 and 8.4 GHz.

  17. Theoretical studies on the vibrationally-resolved absorption and fluorescence spectra of H-Pyrene+ and H-Coronene+

    NASA Astrophysics Data System (ADS)

    Li, JunFeng; Tian, GuanJun; Luo, Yi; Cao, ZeXing

    2015-11-01

    H-Pyrene+ and H-Coronene+ are important carrier candidates for the diffuse interstellar band. In order to understand the observed absorption and fluorescence emission spectra of H-Pyrene+ and H-Coronene+, time-dependent density functional theory (TD-DFT) method and Franck-Condon approximation have been employed to simulate the corresponding vibrationally-resolved optical spectra. For H-Pyrene+, the calculated absorption, emission and 0-0 band energies are in good agreement with the experimental values. The strong absorption and emission vibrational peaks near the 0-0 band match well with the experiment peaks. A noticeable deviation for several weak peaks far away from the origin band is observed, as a result of the vibronic coupling with other excited states. For H-Coronene+, the predicted vibrationally resolved electronic absorption and emission spectra resemble very well their experimental counterparts spectra, allowing to fully assign the observed vibronic peaks.

  18. First-principles calculation of ground and excited-state absorption spectra of ruby and alexandrite considering lattice relaxation

    NASA Astrophysics Data System (ADS)

    Watanabe, Shinta; Sasaki, Tomomi; Taniguchi, Rie; Ishii, Takugo; Ogasawara, Kazuyoshi

    2009-02-01

    We performed first-principles calculations of multiplet structures and the corresponding ground-state absorption and excited-state absorption spectra for ruby (Cr3+:α-Al2O3) and alexandrite (Cr3+:BeAl2O4) which included lattice relaxation. The lattice relaxation was estimated using the first-principles total energy and molecular-dynamics method of the CASTEP code. The multiplet structure and absorption spectra were calculated using the configuration-interaction method based on density-functional calculations. For both ruby and alexandrite, the theoretical absorption spectra, which were already in reasonable agreement with experimental spectra, were further improved by consideration of lattice relaxation. In the case of ruby, the peak positions and peak intensities were improved through the use of models with relaxations of 11 or more atoms. For alexandrite, the polarization dependence of the U band was significantly improved, even by a model with a relaxation of only seven atoms.

  19. Radio characteristics of Broad Absorption Lines (BAL) quasars

    NASA Astrophysics Data System (ADS)

    Ceglowski, Maciej

    2011-07-01

    Broad absorption lines (BALs), seen in a small fraction of both the radio-quiet and radio-loud quasar populations, are probably caused by the outflow of gas with high velocities and are part of the accretion process. The presence of BALs is the geometrical effect and/or it is connected with the quasar evolution. It has been believed that BALQSO occurs only among radio-quiet galaxies. However, in 2000 Becker et al. discovered the representative sample of radio-loud objects which exhibits broad absorption troughs. The radio morphologies of radio-loud BAL quasars provide important additional information about their orientation and the direction of the outflow. Using the final release of FIRST survey combined with a A Catalog of BAL QSOs (SDSS/DR3), we have constructed a new sample of compact radio-loud BAL QSOs, which makes the majority of radio-loud BAL QSOs. The main goal of this project is to study the origin of BALs by analysis the BAL QSOs radio morphology, their orientation and jets evolution, using EVN at 1.6 GHz and VLBA at 5 and 8.4 GHz.

  20. Investigating the radio-loud phase of broad absorption line quasars

    NASA Astrophysics Data System (ADS)

    Bruni, G.; González-Serrano, J. I.; Pedani, M.; Benn, C. R.; Mack, K.-H.; Holt, J.; Montenegro-Montes, F. M.; Jiménez-Luján, F.

    2014-09-01

    Context. Broad absorption lines (BALs) are present in the spectra of ~20% of quasars (QSOs); this indicates fast outflows (up to 0.2c) that intercept the observer's line of sight. These QSOs can be distinguished again into radio-loud (RL) BAL QSOs and radio-quiet (RQ) BAL QSOs. The first are very rare, even four times less common than RQ BAL QSOs. The reason for this is still unclear and leaves open questions about the nature of the BAL-producing outflows and their connection with the radio jet. Aims: We explored the spectroscopic characteristics of RL and RQ BAL QSOs with the aim to find a possible explanation for the rarity of RL BAL QSOs. Methods: We identified two samples of genuine BAL QSOs from SDSS optical spectra, one RL and one RQ, in a suitable redshift interval (2.5 < z < 3.5) that allowed us to observe the Mg ii and Hβ emission lines in the adjacent near-infrared (NIR) band. We collected NIR spectra of the two samples using the Telescopio Nazionale Galileo (TNG, Canary Islands). By using relations known in the literature, we estimated the black-hole mass, the broad-line region radius, and the Eddington ratio of our objects and compared the two samples. Results: We found no statistically significant differences from comparing the distributions of the cited physical quantities. This indicates that they have similar geometries, accretion rates, and central black-hole masses, regardless of whether the radio-emitting jet is present or not. Conclusions: These results show that the central engine of BAL QSOs has the same physical properties with and without a radio jet. The reasons for the rarity of RL BAL QSOs must reside in different environmental or evolutionary variables. Figure 3 is available in electronic form at http://www.aanda.org

  1. Multiple-scattering approach to the x-ray-absorption spectra of 3d transition metals

    NASA Astrophysics Data System (ADS)

    Kitamura, Michihide; Muramatsu, Shinji; Sugiura, Chikara

    1986-04-01

    The x-ray-absorption near-edge structure (XANES) has been calculated for the 3d transition metals Cr, Fe, Ni, and Cu from a multiple-scattering approach within the muffin-tin-potential approximation, as a first step to studying the XANES for complicated materials. The muffin-tin potential is constructed via the Mattheiss prescription using the atomic data of Herman and Skillman. It is found that the XANES is sensitive to the potential used and that the calculated XANES spectra reproduce the number of peaks and their separations observed experimentally. The final spectra, including the lifetime-broadening effect, show the general features of each material. We emphasize that the multiple-scattering theory which can be applied to the disordered systems as well as the ordered ones may be promising as a tool to analyze the XANES of complicated materials.

  2. Modelling long-range wavelength distortions in quasar absorption echelle spectra

    NASA Astrophysics Data System (ADS)

    Dumont, V.; Webb, J. K.

    2017-06-01

    Spectra observed with the Ultraviolet and Visual Echelle Spectrograph on the European Southern Observatory's VLT exhibit long-range wavelength distortions. These distortions impose a systematic error on high-precision measurements of the fine-structure constant, α, derived from intervening quasar absorption systems. If the distortion is modelled using a model that is too simplistic, the resulting bias in Δα/α away from the true value can be larger than the statistical uncertainty on the α measurement. If the effect is ignored altogether, the same is true. If the effect is modelled properly, accounting for the way in which final spectra are generally formed from the co-addition of exposures made at several different instrumental settings, the effect can be accurately removed and the correct Δα/α recovered.

  3. Ultrafast optical nonlinearity, electronic absorption, vibrational spectra and solvent effect studies of ninhydrin.

    PubMed

    Sajan, D; Devi, T Uma; Safakath, K; Philip, Reji; Němec, Ivan; Karabacak, M

    2013-05-15

    FT-IR, FT-Raman and UV-Vis spectra of the nonlinear optical molecule ninhydrin have been recorded and analyzed. The equilibrium geometry, bonding features, and harmonic vibrational wavenumbers have been investigated with the help of B3LYP density functional theory method. A detailed interpretation of the vibrational spectra is carried out with the aid of normal coordinate analysis following the scaled quantum mechanical force field methodology. Solvent effects have been calculated using time-dependent density functional theory in combination with the polarized continuum model. Natural bond orbital analysis confirms the occurrence of strong intermolecular hydrogen bonding in the molecule. Employing the open-aperture z-scan technique, nonlinear optical absorption of the sample has been studied in the ultrafast and short-pulse excitation regimes, using 100 fs and 5 ns laser pulses respectively. It is found that ninhydrin exhibits optical limiting for both excitations, indicating potential photonic applications.

  4. 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.

  5. Paradoxical solvent effects on the absorption and emission spectra of amino-substituted perylene monoimides.

    PubMed

    Zoon, Peter D; Brouwer, Albert M

    2005-08-12

    In N-(2,5-di-tert-butylphenyl)-9-pyrrolidinoperylene-3,4-dicarboximide (5PI) the absorption and emission spectra display large solvatochromic shifts, but, remarkably, the Stokes shift is practically independent of solvent polarity. This unique behavior is caused by the extraordinarily large ground-state dipole moment of 5PI, which further increases upon increasing the solvent polarity, whereas the excited-state dipole moment is less solvent dependent. In the corresponding piperidine compound, 6PI, this effect is much less important owing to the weaker coupling between the amino group and the aromatic imide moiety, and in the corresponding naphthalimide, 5NI, it is absent. The latter shows the conventional solvatochromic behavior of a push-pull substituted conjugated system, that is, minor shifts in absorption and a larger change in the emission energy with solvent polarity.

  6. Solvatochromic behavior of the electronic absorption spectra of gallic acid and some of its azo derivatives

    NASA Astrophysics Data System (ADS)

    Masoud, Mamdouh S.; Hagagg, Sawsan S.; Ali, Alaa E.; Nasr, Nessma M.

    The electronic absorption spectra of gallic acid and its azo derivatives have been studied in various solvents of different polarities. Multiple regression techniques were applied to calculate the regression and correlation coefficients based on an equation that relates the wavenumbers of the absorption band maxima (υmax-) to the solvent parameters; refractive index (n), dielectric constant (D), empirical Kamlet-Taft solvent parameters, π*(dipolarity/polarizability), α (solvent hydrogen-bond donor acidity) and β (solvent hydrogen-bond acceptor basicity). The fitting coefficient obtained from this analysis allows estimating the contribution of each type of interactions relative to total spectral shifts in solution. The dependence of υmax- on the solvent parameters indicates that the obtained bands are affected by specific and non-specific solute-solvent interactions.

  7. Effects of domain size on x-ray absorption spectra of boron nitride doped graphenes

    NASA Astrophysics Data System (ADS)

    Li, Xin; Hua, Weijie; Wang, Bo-Yao; Pong, Way-Faung; Glans, Per-Anders; Guo, Jinghua; Luo, Yi

    2016-08-01

    Doping is an efficient way to open the zero band gap of graphene. The control of the dopant domain size allows us to tailor the electronic structure and the properties of the graphene. We have studied the electronic structure of boron nitride doped graphenes with different domain sizes by simulating their near-edge X-ray absorption fine structure (NEXAFS) spectra at the N K-edge. Six different doping configurations (five quantum dot type and one phase-separated zigzag-edged type) were chosen, and N K-edge NEXAFS spectra were calculated with large truncated cluster models by using the density functional theory with hybrid functional and the equivalent core hole approximation. The opening of the band gap as a function of the domain size is revealed. We found that nitrogens in the dopant boundary contribute a weaker, red-shifted π* peak in the spectra as compared to those in the dopant domain center. The shift is related to the fact that these interfacial nitrogens dominate the lowest conduction band of the system. Upon increasing the domain size, the ratio of interfacial atom decreases, which leads to a blue shift of the π* peak in the total NEXAFS spectra. The spectral evolution agrees well with experiments measured at different BN-dopant concentrations and approaches to that of a pristine h-BN sheet.

  8. The X-shooter sample of GRB afterglow spectra: Properties of the absorption features

    NASA Astrophysics Data System (ADS)

    de Ugarte Postigo, Antonio

    2015-08-01

    Since its commissioning at ESO's Very Large Telescope in 2009, the X-shooter spectrograph has become the reference instrument in gamma-ray burst (GRB) afterglow spectroscopy. During this time our collaboration has collected more than 70 spectra of GRB afterglows, with redshifts ranging from 0.06 to 6.3. Thanks to their extreme luminosity and simple intrinsic shape, GRB spectra are optimal tools for the study of galactic environments at basically any redshift. Being produced by the death of short-lived massive stars, they are also tracers of star formation.I will present the sample of absorption spectral features identified in X-shooter's GRB spectra describing observation and analysis techniques. The different features are compared with the characteristics of the explosion (duration, spectral shape, energetics, etc.) and with the properties of the host galaxy (mass, age, etc.) to improve our understanding of the nature of the explosions and how they interact with their environments. Using the large redshift range of the spectra collection we perform studies of the evolution of GRB environments across the history of the Universe and their relation with the evolution of star formation.

  9. Resonant Photoemission and M_{2,3}-Absorption Spectra in Nickel Dichloride

    NASA Astrophysics Data System (ADS)

    Igarashi, J.

    Ni 3p-resonant photoemission and Ni M_{2,3}-absorption spectra are calculated in detail on a cluster of (NiCl_6)^{4-} with the use of the transition matrix elements evaluated on the Herman-Skillman potential in Ni atom. Overall spectral shape agrees well with experiment, allowing a determination of the parameters which characterize Ni 3d and Cl 3p states. Resonance behavior is discussed near the Ni 3p-core level photothreshold. The resonant enhancement is found to be larger for the peak with higher binding energy in the d^7-multiplets.

  10. Extended spin-polarized x-ray absorption near-edge spectra of MnO

    SciTech Connect

    Hayashi, Hisashi; Kawata, Masaki; Udagawa, Yasuo; Kawamura, Naomi; Nanao, Susumu

    2004-10-01

    We present Mn K{beta}(3p{yields}1s) emission data as a contour map over wide energy ranges in both excitation and emission. It is demonstrated that spin-polarized x-ray absorption near edge structure (SPXANES) can be deduced by analyzing the data in terms of a formula derived from the Kramers-Heisenberg equation. The SPXANES spectra thus obtained are considerably different from those by conventional method, but are consistent with an anticipation from Hund's rule, and the overall spectral shapes as well as peak positions agree well with a theoretical calculation.

  11. A ubiquitous absorption feature in the X-ray spectra of BL Lacertae objects

    NASA Technical Reports Server (NTRS)

    Madejski, Greg M.; Mushotzky, Richard F.; Weaver, Kimberly A.; Arnaud, Keith A.; Urry, C. Megan

    1991-01-01

    The paper presents the broadband (0.5-20-keV) X-ray spectra of five X-ray bright BL Lac objects observed with the Einstein Observatory Solid State Spectrometer (SSS) and Monitor Proportional Counter (MPC) detectors. The combination of moderate energy resolution and broad spectral coverage makes it possible to confirm the presence of an absorption feature at an energy of 650 eV in the BL Lac object PKS 2155-304, originally reported by Canizares and Kruper (1984) based on higher resolution Einstein Objective Grating Spectrometer (OGS) data.

  12. The energy calibration of x-ray absorption spectra using multiple-beam diffraction

    SciTech Connect

    Hagelstein, M.; Cunis, S. ); Frahm, R. ); Rabe, P. )

    1992-01-01

    A new method for calibrating the energy scale of x-ray absorption spectra from an energy dispersive spectrometer has been developed. Distinct features in the diffracted intensity of the curved silicon crystal monochromator have been assigned to multiple-beam diffraction. The photon energies of these structures can be calculated if the precise spacing of the diffracting planes and the orientation of the crystal relative to the incident synchrotron radiation are known. The evaluation of Miller indices of operative reflections and the calculation of the corresponding photon energy is presented. The assignment of operative reflexes is simplified if the monochromator crystal can be rotated around the main diffracting vector {bold H}.

  13. 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.

  14. Gain and Absorption Spectra of Quantum Wire Lasers Diodes Grown on Nonplanar Substrates

    DTIC Science & Technology

    1992-04-01

    SIMMJ^ COMPONENT PART NOTICE THIS PAPER IS A COMPONENT PART OF THE FOLLOWING COMPILATION REPORT: TTT1F: Integrated Photonics Research. Volume 10...i’t’y Co" .,.*» Dist kl Avji. :.;;fl,’or Spital ulll’MAR85Mb:> OPI: DTIC-TID Integrated Photonics Research -1 Gain and Absorption Spectra of...modulators and switches. 92-31749 Integrated Photonics Research 59 MC2-2 References: 1. E. Kapon, D.M. Hwang and R. Bhat, Phys. Rev. Lett. 63, 430 (1989

  15. Solvent effects on the electronic absorption spectra and acid strength of some substituted pyridinols

    NASA Astrophysics Data System (ADS)

    Hashem, Elham Y.; Saleh, Magda S.

    2002-01-01

    The electronic absorption spectra of some substituted pyridinols in organic solvents of different polarities are studied. Also, the solvent effects on the intramolecular charge transfer bands are discussed using various solvent parameters. The acid-base equilibria of the compounds used are studied spectrophotometrically in various mixed aqueous solvents at 25 °C and 0.1 M ionic strength (NaClO 4). Furthermore, the influence of the solvents on the dissociation constants and tautomeric equilibria of a pyridinol derivatives are discussed. The effect of molecular structure of the pyridinols on the p K's is also examined.

  16. 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.

  17. Quantum-chemical investigation of the structure and electronic absorption spectra of electroluminescent zinc complexes

    NASA Astrophysics Data System (ADS)

    Minaev, B. F.; Baryshnikov, G. V.; Korop, A. A.; Minaeva, V. A.; Kaplunov, M. G.

    2013-01-01

    Using the quantum chemical methods of the density functional theory and of the electron density topological analysis, we have studied the structure of two recently synthesized electroluminescent zinc complexes, one with aminoquinoline ligands and the other with a Schiff base (N,O-donor). The energies and intensities of vertical excitations for the molecules under study have been calculated in terms of the PM3 semiempirical approximation taking into account the configurational interaction between singly excited singlet excited states. Good agreement between calculation results and experimental data on the electron density topological characteristics and on the visible and UV absorption spectra has been obtained.

  18. 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.

  19. No Evidence for Variability of Intervening Absorption Lines toward GRB 060206: Implications for the Mg II Incidence Problem

    NASA Astrophysics Data System (ADS)

    Aoki, K.; Totani, T.; Hattori, T.; Ohta, K.; Kawabata, K. S.; Kobayashi, N.; Iye, M.; Nomoto, K.; Kawai, N.

    2009-05-01

    We examine variability of absorption line strength of intervening systems along the line of sight to GRB 060206 at z = 4.05, by the low-resolution optical spectra obtained by the Subaru telescope from six to ten hours after the burst. Strong variabilities of Fe II and Mg II lines at z = 1.48 during t = 5-8 hours have been reported for this GRB [8], and this has been used to support the idea of clumpy Mg II cloudlets that was originally proposed to explain the anomalously high incidence of Mg II absorbers in GRB spectra compared with quasars. However, our spectra with higher signal-to-noise ratio do not show any evidence for variability in t = 6-10 hours. There is a clear discrepancy between our data and Hao et al. data in the overlapping time interval. Furthermore, the line strengths in our data are in good agreement with those observed at t~2 hours by Thone et al. [22]. Therefore we conclude that there is no strong evidence for variability of intervening absorption lines toward GRB 060206, significantly weakening the support to the Mg II cloudlet hypothesis by the GRB 060206 data.

  20. Comparison of line-by-line and band models of near-IR methane absorption applied to outer planet atmospheres

    NASA Astrophysics Data System (ADS)

    Sromovsky, L. A.; Fry, P. M.; Boudon, V.; Campargue, A.; Nikitin, A.

    2012-03-01

    Recent improvements in high spectral resolution measurements of methane absorption at wavenumbers between 4800 cm-1 and 7919 cm-1 have greatly increased the number of lines with known lower state energies, the number of weak lines, and the number of lines observed at low temperatures (Campargue, A., Wang, L., Kassi, S., Mašát, M., Votava, O. [2010]. J. Quant. Spectrosc. Radiat. Trans. 111, 1141-1151; Campargue, A., Wang, L., Liu, A.W., Hu, S.M., Kassi, S. [2010]. Chem. Phys. 373, 203-210; Mondelain, D., Kassi, S., Wang, L.C. [2011]. Phys. Chem. Chem. Phys. 13, 7985-7996; Nikitin, A.V. et al. [2011a]. J. Mol. Spectrosc. 268, 93-106; Nikitin, A.V. et al. [2010]. J. Quant. Spectrosc. Radiat. Trans. 111, 2211-2224; Wang, L., Kassi, S., Campargue, A. [2010]. J. Quant. Spectrosc. Radiat. Trans. 111, 1130-1140; Wang, L., Kassi, S., Liu, A.W., Hu, S.M., Campargue, A. [2011]. J. Quant. Spectrosc. Radiat. Trans. 112, 937-951), making it possible to fit near-IR spectra of Titan using line-by-line calculations instead of band models (Bailey, J., Ahlsved, L., Meadows, V.S. [2011]. Icarus 213, 218-232; de Bergh, C. et al. [2011]. Planet. Space Sci. doi:10.1016/j.pss.2011.05.003). Using these new results, we compiled an improved line list relative that used by Bailey et al. by updating several spectral regions with either calculated or more recently measured line parameters, revising lower state energy estimates for lines lacking them, and adding room temperature lines to make the list applicable over a wider range of temperatures. We compared current band models with line-by-line calculations using this new line list, both to assess the behavior of band models, and to identify remaining issues with line-by-line calculations when applied to outer planet atmospheres and over a wider range of wavelengths. Comparisons were made for a selection of uniform paths representing outer planet conditions and for representative non-uniform paths within the atmospheres of Uranus, Saturn

  1. Deriving the Extinction to Young Stellar Objects using [Fe II] Near-infrared Emission Lines: Prescriptions from GIANO High-resolution Spectra

    NASA Astrophysics Data System (ADS)

    Pecchioli, T.; Sanna, N.; Massi, F.; Oliva, E.

    2016-07-01

    The near-infrared (NIR) emission lines of Fe+ at 1.257, 1.321, and 1.644 μm share the same upper level; their ratios can then be exploited to derive the extinction to a line emitting region once the relevant spontaneous emission coefficients are known. This is commonly done, normally from low-resolution spectra, in observations of shocked gas from jets driven by Young Stellar Objects. In this paper we review this method, provide the relevant equations, and test it by analyzing high-resolution (R ∼ 50,000) NIR spectra of two young stars, namely the Herbig Be star HD 200775 and the Be star V1478 Cyg, which exhibit intense emission lines. The spectra were obtained with the new GIANO echelle spectrograph at the Telescopio Nazionale Galileo. Notably, the high-resolution spectra allowed checking the effects of overlapping telluric absorption lines. A set of various determinations of the Einstein coefficients are compared to show how much the available computations affect extinction derivation. The most recently obtained values are probably good enough to allow reddening determination within 1 visual mag of accuracy. Furthermore, we show that [Fe ii] line ratios from low-resolution pure emission-line spectra in general are likely to be in error due to the impossibility to properly account for telluric absorption lines. If low-resolution spectra are used for reddening determinations, we advice that the ratio 1.644/1.257, rather than 1.644/1.321, should be used, being less affected by the effects of telluric absorption lines.

  2. PHOTOIONIZATION MODELING OF OXYGEN K ABSORPTION IN THE INTERSTELLAR MEDIUM: THE CHANDRA GRATING SPECTRA OF XTE J1817-330

    SciTech Connect

    Gatuzz, E.; Mendoza, C.; Garcia, J.; Lohfink, A.; Kallman, T. R.; Witthoeft, M.; Bautista, M. A.; Palmeri, P.; Quinet, P. E-mail: claudio@ivic.gob.ve E-mail: alohfink@astro.umd.edu E-mail: michael.c.witthoeft@nasa.gov E-mail: palmeri@umons.ac.be

    2013-05-01

    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 A 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 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 Multiplication-Sign 10{sup 21} cm{sup -2}; an ionization parameter of log {xi} = -2.70 {+-} 0.023; an oxygen abundance of A{sub O}= 0.689{sup +0.015}{sub -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 results from previous studies. Since the oxygen abundance in warmabs is given relative to the solar standard of Grevesse and Sauval, a rescaling with the revision by Asplund et al. yields A{sub O}=0.952{sup +0.020}{sub -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-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 > 2 associated with ISM cold absorption.

  3. 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.

  4. 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.

  5. Line shape of 57Co sources exhibiting self absorption

    NASA Astrophysics Data System (ADS)

    Spiering, H.; Ksenofontov, V.; Leupold, O.; Kusz, J.; Deák, L.; Németh, Z.; Bogdán, C.; Bottyán, L.; Nagy, D. L.

    2016-12-01

    The effect of selfabsorption in Mössbauer sources is studied in detail. Spectra were measured using an old 57 C o/ R h source of 74 M B q activity with an original activity of ca. 3.7 G B q and a 0.15 G B q 57 C o/ α - F e source magnetized by an in-plane magnetic field of 0.2 T. The 57 C o/ α - F e source of a thickness of 25 μ was used both from the active and the inactive side giving cause to very different selfabsorption effects. The absorber was a single crystal of ferrous ammonium sulphate hexahydrate (FAS). Its absorption properties were taken over from a detailed study (Bull et al., Hyperfine Interact. 94(1-3), 1; Spiering et al. 2). FAS (space group P21/c) crystallizes as flat plates containing the (overline {2}01) plane. The γ-direction was orthogonal to the crystal plate. The 57 C o atoms of the 57 C o/ R h source were assumed to be homogeneously distributed over a 6 μ thick Rh foil and to follow a one dimensional diffusion profile in the 25 μ Fe-foil. The diffusion length was fitted to 10 μ. The theory follows the Blume-Kistner equations for forward scattering (Blume and Kistner, Phys. Rev. 171, 417, 3) by integrating over the source sampled up to 128 layers.

  6. Stark effect spectrophone for continuous absorption spectra monitoring. [a technique for gas analysis

    NASA Technical Reports Server (NTRS)

    Kavaya, M. J. (Inventor)

    1981-01-01

    A Stark effect spectrophone using a pulsed or continuous wave laser having a beam with one or more absorption lines of a constituent of an unknown gas is described. The laser beam is directed through windows of a closed cell while the unknown gas to be modified flows continuously through the cell between electric field plates disposed in the cell on opposite sides of the beam path through the cell. When the beam is pulsed, energy absorbed by the gas increases at each point along the beam path according to the spectral lines of the constituents of the gas for the particular field strengths at those points. The pressure measurement at each point during each pulse of energy yields a plot of absorption as a function of electric field for simultaneous detection of the gas constituents. Provision for signal averaging and modulation is included.

  7. Absorption spectra of Fe I in the 1550-3215-A region

    NASA Technical Reports Server (NTRS)

    Brown, C. M.; Ginter, M. L.; Johansson, S.; Tilford, S. G.

    1988-01-01

    The high-dispersion absorption spectrum of Fe I is reported in the 1550-3215-A region. Included are wavelengths of about 3000 observed spectral features, improved spectral assignments, 248 new energy levels, and a value for the ionization potential of 63 737/cm obtained from extrapolation of Rydberg series. Improved wavelengths for several hundred V I and Ti I spectral lines determined on the same spectrograms as the iron data also are presented.

  8. The Physical Nature of Polar Broad Absorption Line Quasars

    NASA Technical Reports Server (NTRS)

    Ghost, Kajal; Punsly, Brian

    2007-01-01

    It has been shown based on radio variability arguments that some BALQSOs (broad absorption line quasars) are viewed along the polar axis (o rthogonal to accretion disk) in the recent article of Zhou et a. Thes e arguments are based on the brightness temperature, T(sub b) exceedi ng 10(exp 12) K which leads to the well-known inverse Compton catastr ophe unless the radio jet is relativistic and is viewed along its axi s. In this letter, we expand the Zhou et al sample of polar BALQSOs u sing their techniques applied to SDSS DR5. In the process, we clarify a mistake in their calculation of brightness temperature. The expanded sample of high T(sub b) BALQSOS, has an inordinately large fraction of LoBALQSOs (low ionization BALQSOs). We consider this an important clue to understanding the nature of the polar BALQSOs. This is expec ted in the polar BALQSO analytical/numerical models of Punsly that pr edicted that LoBALQSOs occur when the line of sight is very close to the polar axis, where the outflow density is the highest.

  9. Anomalous absorption line in the magneto-optical response of graphene.

    PubMed

    Gusynin, V P; Sharapov, S G; Carbotte, J P

    2007-04-13

    The intensity as well as position in energy of the absorption lines in the infrared conductivity of graphene, both exhibit features that are directly related to the Dirac nature of its quasiparticles. We show that the evolution of the pattern of absorption lines as the chemical potential is varied encodes the information about the presence of the anomalous lowest Landau level. The first absorption line related to this level always appears with full intensity or is entirely missing, while all other lines disappear in two steps. We demonstrate that if a gap develops, the main absorption line splits into two provided that the chemical potential is greater than or equal to the gap.

  10. Picosecond kinetics and Sn <-- S1 absorption spectra of retinoids and carotenoids

    NASA Astrophysics Data System (ADS)

    Bondarev, Stanislav L.; Tikhomirov, S. A.; Bachilo, Sergei M.

    1991-05-01

    Light energy absorption, as well as the subsequent photochemical and photophysical processes of cis -+trans isomerisation (vision and bacteriorhodopsin photosynthesis) and energy transfer (photosynthesis in green plants and micro organisms) take place in a pigment-protein complex including polyene chromophors, retinoids and carotenoids. Picosecond and subpicosecond studies of the spectral and kinetic characteristics of these processes are carried out in both complex photoreceptor and photosynthetic ms'2 and model systems with the use of solutions of retinoids and carotenoids.36 The lifetimes of the lower singlet-exited states S (21A; ) ofsome carotenoids in toluene at room temperature have been measured by the method of picosecond photolysis and amount to 8.6+/- 0.5 for all-trans-fl -carotene1 and 5.2 0.6 PS for canthaxanthin.5 /3 -carotene fluorescence at room temperature is practically absent, its yield being less than iO (Ref. 7). /1 -carotene fluorescence at 77 and 4.2 K in isopentane discovered by us8 is characterized by yields of (4+/-2) .iO and (8+/-3) . i0- and lifetimes of(4+/-2) .iO' and (8+/-3) .iO' and is due to the transitions from the higher S(1' B) state. The picosecond transient S -S absorption of/I - carotene in different solvents at 293 K is characterized by spectra in the 550-600 nm range.8 For retinoids, there is one work (Ref. 4) which gives the S, +-Si absorption spectrum of the Schiff base (aldimine) of retinal with amaz 465 mn in n-hexane at 290 K. The duration of transient absorption was 21 5 ps, although the fluorescence kinetics measured in this work (Ref. 4) at 298 K were characterized by two-component decay with r1 = 22 and r2 = 265 ps. The transient picosecond absorption spectra for retinal are absent in the literature and the lifetimes of its singlet-excited state at room temperature, measured by absorption and fluorescence, amount to 20+/-10 Ps in n-hexane3 and 17 Ps in ethanol,'9 respectively.

  11. Role of non-Condon vibronic coupling and conformation change on two-photon absorption spectra of green fluorescent protein

    NASA Astrophysics Data System (ADS)

    Ai, Yuejie; Tian, Guangjun; Luo, Yi

    2013-07-01

    Two-photon absorption spectra of green fluorescent proteins (GFPs) often show a blue-shift band compared to their conventional one-photon absorption spectra, which is an intriguing feature that has not been well understood. We present here a systematic study on one- and two-photon spectra of GFP chromophore by means of the density functional response theory and complete active space self-consistent field (CASSCF) methods. It shows that the popular density functional fails to provide correct vibrational progression for the spectra. The non-Condon vibronic coupling, through the localised intrinsic vibrational modes of the chromophore, is responsible for the blue-shift in the TPA spectra. The cis to trans isomerisation can be identified in high-resolution TPA spectra. Our calculations demonstrate that the high level ab initio multiconfigurational CASSCF method, rather than the conventional density functional theory is required for investigating the essential excited-state properties of the GFP chromophore.

  12. 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…

  13. 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…

  14. 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.

  15. Power Law Subordinacy and Singular Spectra.II. Line Operators

    NASA Astrophysics Data System (ADS)

    Jitomirskaya, Svetlana Ya.; Last, Yoram

    We study Hausdorff-dimensional spectral properties of certain ``whole-line'' quasiperiodic discrete Schrödinger operators by using the extension of the Gilbert-Pearson subordinacy theory that we previously developed in [19].

  16. 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

  17. 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

  18. Absolute Transition Probabilities of Lines in the Spectra of Astrophysical Atoms, Molecules, and Ions

    NASA Technical Reports Server (NTRS)

    Parkinson, W. H.; Smith, P. L.; Yoshino, K.

    1984-01-01

    Progress in the investigation of absolute transition probabilities (A-values or F values) for ultraviolet lines is reported. A radio frequency ion trap was used for measurement of transition probabilities for intersystem lines seen in astronomical spectra. The intersystem line at 2670 A in Al II, which is seen in pre-main sequence stars and symbiotic stars, was studied.

  19. Stratospheric and mesospheric pressure-temperature profiles from rotational analysis of CO2 lines in atmospheric trace molecule spectroscopy/ATLAS 1 infrared solar occultation spectra

    NASA Technical Reports Server (NTRS)

    Stiller, G. P.; Gunson, M. R.; Lowes, L. L.; Abrams, M. C.; Raper, O. F.; Farmer, C. B.; Zander, R.; Rinsland, C. P.

    1995-01-01

    A simple, classical, and expedient method for the retrieval of atmospheric pressure-temperature profiles has been applied to the high-resolution infrared solar absorption spectra obtained with the atmospheric trace molecule spectroscopy (ATMOS) instrument. The basis for this method is a rotational analysis of retrieved apparent abundances from CO2 rovibrational absorption lines, employing existing constituent concentration retrieval software used in the analysis of data returned by ATMOS. Pressure-temperature profiles derived from spectra acquired during the ATLAS 1 space shuttle mission of March-April 1992 are quantitatively evaluated and compared with climatological and meteorological data as a means of assessing the validity of this approach.

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

    NASA Astrophysics Data System (ADS)

    Fallot, M.; Porta, A.; Meur, L. Le; Briz, J. A.; Zakari-Issoufou, A.-A.; Guadilla, V.; Algora, A.; Taìn, J.-L.; Valencia, E.; Rice, S.; Bui, V. M.; Cormon, S.; Estienne, M.; Agramunt, J.; Äystö, J.; Batist, L.; Bowry, M.; Caballero-Folch, R.; Cano-Ott, D.; Cucoanes, A.; Elomaa, V.-V.; Eronen, T.; Estévez, E.; Farrelly, G. F.; Fraile, L. M.; Fleming, M.; Ganogliu, E.; Garcia, A. R.; Gelletly, W.; Gomez-Hornillos, M. B.; Gorelov, D.; Gorlychev, V.; Hakala, J.; Jokinen, A.; Jordan, M. D.; Kankainen, A.; Karvonen, P.; Kolhinen, V. S.; Kondev, F. G.; Koponen, J.; Lebois, M.; Martinez, T.; Mason, P.; Mendoza, E.; Molina, F.; Monserrate, M.; Montaner-Pizá, A.; Moore, I.; Nácher, E.; Orrigo, S. E. A.; Penttilä, H.; Perez, A.; Podolyák, Zs.; Pohjalainen, I.; Regan, P. H.; Reinikainen, J.; Reponen, M.; Rinta-Antila, S.; Rissanen, J.; Rubio, B.; Shiba, T.; Sonnenschein, V.; Sonzogni, A. A.; Sublet, J.-C.; Vedia, V.; Voss, A.; Weber, C.; Wilson, J. N.

    2017-09-01

    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 physics 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 Jyväskylä 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.

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

    NASA Astrophysics Data System (ADS)

    Penfold, T. J.; Tavernelli, I.; Milne, C. J.; Reinhard, M.; Nahhas, A. El; Abela, R.; Rothlisberger, U.; Chergui, M.

    2013-01-01

    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 rhenium diimine complex, [ReX(CO)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.

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

    PubMed

    Penfold, T J; Tavernelli, I; Milne, C J; Reinhard, M; El Nahhas, A; Abela, R; Rothlisberger, U; Chergui, M

    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 rhenium diimine complex, [ReX(CO)(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.

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

    SciTech Connect

    Penfold, T. J.; Tavernelli, I.; Rothlisberger, U.; Milne, C. J.; Abela, R.; Reinhard, M.; Nahhas, A. El; Chergui, M.

    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 rhenium 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.

  4. Multi-State Extrapolation of Uv/vis Absorption Spectra with Qm/qm Hybrid Methods

    NASA Astrophysics Data System (ADS)

    Ren, Sijin; Caricato, Marco

    2017-06-01

    In this work, we present a simple approach to obtain absorption spectra from hybrid QM/QM calculations. The goal is to obtain reliable spectra for compounds that are too large to be treated entirely at a high level of theory. The approach is based on the extrapolation of the entire absorption spectrum obtained by individual subcalculations. Our program locates the main spectral features in each subcalculation, e.g. band peaks and shoulders, and fits them to Gaussian functions. Each Gaussian is then extrapolated with a formula similar to that of ONIOM (Our own N-layered Integrated molecular Orbital molecular Mechanics). However, information about individual excitations is not necessary so that difficult state-matching across subcalculations is avoided. This multi-state extrapolation thus requires relatively low implementation effort while affording maximum flexibility in the choice of methods to be combined in the hybrid approach. The test calculations show the efficacy and robustness of this methodology in reproducing the spectrum computed for the entire molecule at a high level of theory.

  5. K-edge x-ray absorption spectra of Cs and Xe

    SciTech Connect

    Gomilsek, J. Padeznik; Kodre, A.; Arcon, I.; Hribar, M.

    2003-10-01

    X-ray absorption spectrum of cesium vapor in the K-edge region is measured in a stainless steel cell. The spectrum is free of the x-ray absorption fine structure signal and shows small features analogous to those in the spectrum of the neighbor noble gas Xe. Although the large natural width of the K vacancy (>10 eV) washes out most of the details, fingerprints of multielectron excitations can be recognized at energies close to Dirac-Fock estimates of doubly excited states 1s4(d,p,s) and 1s3(d,p). Among these, the 1s3p excitation 1000 eV above the K edge in both spectra is the deepest double excitation observed so far. Within the K-edge profile, some resolution is recovered with numerical deconvolution of the spectra, revealing the coexcitation of the 5(p,s) electrons, and even the valence 6s electron in Cs. As in homologue elements, three-electron excitations, either as separate channels or as configuration admixtures are required to explain some spectral features in detail.

  6. Solvent effects on the absorption and fluorescence spectra of rhaponticin: Experimental and theoretical studies

    NASA Astrophysics Data System (ADS)

    Sun, Yang; Liang, Xuhua; Zhao, Yingyong; Fan, Jun

    2013-02-01

    Rhaponticin (RH) possesses a variety of pharmacological activities including potent antitumor, antitumor-promoting, antithrombotic, antioxidant and vasorelaxant effects. The fundamental photophysics of RH is not well understood. In this work, solvent effect on the photoluminescence behavior of RH was studied by fluorescence and absorption spectra. The bathchromic shift was observed in absorption and fluorescence spectra with the increase of solvents polarity, which implied that transition involved was π → π*. A quantitative estimation of the contribution from different solvatochromic parameters, like normalized transition energy value (ETN), was made using the linear stokes shift (Δν) relationship based on the Lippert-Suppan equation. The ground state and excited state dipole moments were calculated by quantum-mechanical second-order perturbation method as a function of the dielectric constant (ɛ) and refractive index (n). The result was found to be 2.23 and 3.67 D in ground state and excited state respectively. The density functional theory (DFT) was used to obtain the most stable structure, electronic excitation energy, dipole moments and charge distribution. The analysis revealed that the RH exhibited strong photoinduced intramolecular charge transfer (ICT), and the intermolecular hydrogen bonding ability of the solvent was the most important parameter to characterize the photophysics behavior of RH. The hydrogen bonding effect occurred at the localized electron-acceptor oxygen at the glycoside bond. The experimental and theoretical results would help us better understand the photophysical properties of RH.

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

    SciTech Connect

    Baishya, K.; Idrobo, J. C.; Ogut, S.; Yang, M.; Jackson, K. A.; Jellinek, J.

    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, yet 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.

  8. Quasar Absorption Lines: The Evolution of Galactic Gas Over Cosmic Time

    NASA Astrophysics Data System (ADS)

    Charlton, J.

    1996-12-01

    A view of the formation and evolution of galaxies and structure over the whole history of the Universe requires observations both of stars and of gas. From the stars in galaxies, now observed in deep images back in time to less than a billion years past the Big Bang, we can study the evolution of galaxy morphology and of star formation rates. Direct observation of gas in the Universe at all epochs is also possible, using absorption spectra of quasars as a probe of intervening material. This absorption arises not only from the gas in developed galaxies and in their environments, but also from the clumps of gas that will eventually combine to form galaxies, and from the gas spread through the Universe that is gradually flowing into the galaxies. This study of gas through quasar absorption lines has opened the possibility of observing directly the formation of galaxies through the assembly of their gas over time. Furthermore, with high resolution spectroscopy, the substructures observed in absorption profiles provide information about the internal workings of galaxies. This talk will present an overview of progress toward a comprehensive picture of the formation and evolution of galaxies through quasar absorption line studies. The absorption profiles that are observed due to the passage of the quasar light through a given structure are a convolution of several properties of the gas, including its spatial and kinematic distribution, its chemical composition, and its state of ionization. Illustrative models will be utilized to show how these various factors affect the appearance of synthetic spectra. Beginning with the philosophy ``what you see is what you get'', the kinematic spectral signatures of higher redshift absorbers will be modeled by familiar components of nearby galaxies: a rotating disk, an isothermal halo, and gas in radial inflow. A combination of these basic models goes a long way toward producing a variety of complex absorption profiles which are in fact

  9. Nucleic acid vibrational circular dichroism, absorption, and linear dichroism spectra. I. A DeVoe theory approach.

    PubMed Central

    Self, B D; Moore, D S

    1997-01-01

    Infrared (IR) vibrational circular dichroism (VCD), absorption, and linear dichroism (LD) spectra of four homopolyribonucleotides, poly(rA), poly(rG), poly(rC), and poly(rU), have been calculated, in the 1750-1550 cm-1 spectral region, using the DeVoe polarizability theory. A newly derived algorithm, which approximates the Hilbert transform of imaginaries to reals, was used in the calculations to obtain real parts of oscillator polarizabilities associated with each normal mode. The calculated spectra of the polynucleotides were compared with previously measured solution spectra. The good agreement between calculated and measured polynucleotide spectra indicates, for the first time, that the DeVoe theory is a useful means of calculating the VCD and IR absorption spectra of polynucleotides. For the first time, calculated DeVoe theory VCD and IR absorption spectra of oriented polynucleotides are presented. The calculated VCD spectra for the oriented polynucleotides are used to predict the spectra for such measurements made in the future. The calculated IR spectra for the oriented polynucleotides are useful in interpreting the linear dichroism of the polynucleotides. PMID:9199798

  10. Molecular-dynamics computer simulations of electronic absorption line shapes at liquid interfaces

    NASA Astrophysics Data System (ADS)

    Benjamin, Ilan; Michael, David

    1998-04-01

    Molecular dynamics computer simulations are used to study the electronic absorption line shapes of adsorbed chromophores at several liquid interfaces. Specifically considered are the liquid/vapor interface of water and the interface between water and a number of different organic liquids which are characterized by different dielectric constants, structure and polarizability. The chromophore used in the calculations is modeled after the common dye molecule DEPNA. Both non-polarizable and polarizable liquid and solute models are considered. The calculations demonstrate the effect of solvent polarity on the spectra, in agreement with recent experiments. These calculations demonstrate the effect of solvent polarity on the spectra, in agreement with recent experiments. These calculations also highlight the important effect due to the microscopic structure of the interface. A comparison of the results with predictions of continuum models is presented. Although these models can qualitatively account for the effect of interface polarity on the spectra, they must be extended to include structural aspects of the interface for better quantitative agreement.

  11. Excitation dynamics in Phycoerythrin 545: modeling of steady-state spectra and transient absorption with modified Redfield theory.

    PubMed

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

    2010-07-21

    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.

  12. Temperature measurement of wood flame based on the double line method of atomic emission spectra

    NASA Astrophysics Data System (ADS)

    Hao, Xiaojian; Liu, Zhenhua; Sang, Tao

    2016-01-01

    Aimed at the testing requirement of the transient high temperature in explosion field and the bore of barrel weapon, the temperature measurement system of double line of atomic emission spectrum was designed, the method of flame spectrum testing system were used for experimental analysis. The experimental study of wood burning spectra was done with flame spectrum testing system. The measured spectra contained atomic emission spectra of the elements K, Na, and the excitation ease of two kinds atomic emission spectra was analyzed. The temperature was calculated with two spectral lines of K I 766.5nm and 769.9nm. The results show that, compared with Na, the excitation temperature of K atomic emission spectra is lower. By double line method, the temperature of wood burning is 1040K, and error is 3.7%.

  13. Metal-line absorption at Z(sub abs) approximately Z(sub em) from associated galaxies

    NASA Technical Reports Server (NTRS)

    Ellingson, E.; Yee, H. K. C.; Bechtold, Jill; Dobrzycki, Adam

    1994-01-01

    For a preliminary study of whether C IV absorption at Z(sub abs) approximately Z(sub em) is related to associated galaxy companions, we have collected data from a sample of 10 quasars with 0.15 less than z less than 0.65 for which high-resolution optical and UV spectroscopy is available from the literature, and for which we have deep optical images and limited spectroscopy. We also present new optical spectra for two of our samples. Four of these quasars have associated C IV absorption systems. In thes four fields, there are eight galaxies with M(sub r) less than -19.0 mag within 35 kpc of the quasar (projected distance, assuming they are at the quasar redshift), which may be candidates for the associated C IV absorption. This observed density of galaxies near quasars with associated C IV absorption is significantly greater than that for a control sample of quasars chosen from the literature. This result suggests that galaxies near the quasar line of sight may be linked with associated C IV absorption. None of these quasars show associated Mg II absorption, despite the presence of galaxies very near the line of sight, suggesting a Mg II 'proximity effect,' where ionizing flux from the quasar destroys the Mg(+) from at least the outer parts of the galaxies. Three quasars are located in rich galaxy clusters, but none of these quasars are found to have associated C IV absorption. This suggests that galaxies in rich clusters associated with quasars are less likely to be metal-line absorbers. It is plausible that the extended galaxy halos which may be responsible for the absorptions are stripped from galaxies in these dense environments. While it seems that at Z approximately 0.6 rich clusters do not cause them, associated C IV absorption systems at higher redshift may be explained by associated clusters if there has been evolution in the properties of galaxy halos in dense environments.

  14. Radex: Fast Non-LTE Analysis of Interstellar Line Spectra

    NASA Astrophysics Data System (ADS)

    van der Tak, F. F. S.; Black, J. H.; Schöier, F. L.; Jansen, D. J.; van Dishoeck, E. F.

    2010-10-01

    The large quantity and high quality of modern radio and infrared line observations require efficient modeling techniques to infer physical and chemical parameters such as temperature, density, and molecular abundances. Radex calculates the intensities of atomic and molecular lines produced in a uniform medium, based on statistical equilibrium calculations involving collisional and radiative processes and including radiation from background sources. Optical depth effects are treated with an escape probability method. The program makes use of molecular data files maintained in the Leiden Atomic and Molecular Database (LAMDA), which will continue to be improved and expanded. The performance of the program is compared with more approximate and with more sophisticated methods. An Appendix provides diagnostic plots to estimate physical parameters from line intensity ratios of commonly observed molecules. This program should form an important tool in analyzing observations from current and future radio and infrared telescopes.

  15. Plastocyanin conformation: an analysis of its near ultraviolet absorption and circular dichroic spectra

    SciTech Connect

    Draheim, J.E.; Anderson, G.P.; Duane, J.W.; Gross, E.L.

    1986-04-01

    The near-ultraviolet absorption and circular dichroic spectra of plastocyanin are dependent upon the redox state, solution pH, and ammonium sulfate concentration. This dependency was observed in plastocyanin isolated from spinach, poplar, and lettuce. Removal of the copper atom also perturbed the near-ultraviolet spectra. Upon reduction there are increases in both extinction and ellipticity at 252 nm. Further increases at 252 nm were observed upon formation of apo plastocyanin eliminating charge transfer transitions as the cause. The spectral changes in the near-ultraviolet imply a flexible tertiary conformation for plastocyanin. There are at least two charge transfer transitions at approx.295-340 nm. One of these transitions is sensitive to low pH's and is attributed to the His 87 copper ligand. The redox state dependent changes observed in the near-ultraviolet spectra of plastocyanin are attenuated either by decreasing the pH to 5 or by increasing the ammonium sulfate concentration to 2.7 M. This attenuation cannot be easily explained by simple charge screening. Hydrophobic interactions probably play an important role in this phenomenon. The pH and redox state dependent conformational changes may play an important role in regulating electron transport.

  16. A Kennicutt-Schmidt Law for Intervening Absorption Line Systems

    NASA Astrophysics Data System (ADS)

    Chelouche, Doron; Bowen, David V.

    2010-10-01

    We argue that most strong intervening metal absorption line systems, where the rest equivalent width of the Mg II λ2796 line is >0.5 Å, are interstellar material in, and outflowing from, star-forming disks. We show that a version of the Kennicutt-Schmidt law is readily obtained if the Mg II equivalent widths are interpreted as kinematic broadening from absorbing gas in outflowing winds originating from star-forming galaxies. Taking a phenomenological approach and using a set of observational constraints available for star-forming galaxies, we are able to account for the density distribution of strong Mg II absorbers over cosmic time. The association of intervening material with star-forming disks naturally explains the metallicity and dust content of strong Mg II systems, as well as their high H I column densities, and does not require the advection of metals from compact star-forming regions into the galaxy halos to account for the observations. We find that galaxies with a broad range of luminosities can give rise to absorption of a given rest equivalent width and discuss possible observational strategies to better quantify true galaxy-absorber associations and further test our model. We show that the redshift evolution in the density of absorbers closely tracks the star formation history of the universe and that strong intervening systems can be used to directly probe the physics of both bright and faint galaxies over a broad redshift range. In particular, in its simplest form, our model suggests that many of the statistical properties of star-forming galaxies and their associated outflows have not evolved significantly since z ~ 2. By identifying strong intervening systems with galaxy disks and quantifying a version of the Kennicutt-Schmidt law that applies to them, a new probe of the interstellar medium is found which provides complementary information to that obtained through emission studies of galaxies. Implications of our results for galaxy feedback and

  17. Spectral and luminescent properties of forsterite single crystals heavily doped with chromium: I. Absorption spectra

    SciTech Connect

    Lebedev, V F; Gaister, A V; Zharikov, Evgeny V; Tenyakov, S Yu; Levchenko, A E; Dianov, Evgenii M

    2003-03-31

    The polarisation absorption spectra of forsterite single crystals grown from a melt containing from 0.015 to 0.97 wt% of chromium are studied. Most of the crystals were grown by the Czochralski method under standard oxidation conditions (1.4-2.4 vol % of oxygen). Some crystals were grown in the atmosphere with a higher content of oxygen ({approx}12 vol %) or in the neutral atmosphere (100% of Ar). Crystals grown from a melt containing more than 0.6 wt % of chromium exhibited the saturation of absorption of Cr{sup 4+} ions. The maximum absorption coefficient of Cr{sup 4+} ions at 1064 nm was {approx}3.2 cm{sup -1}. The relative content of Cr{sup 3+} ions also increased (approximately by 70% in the range studied) with increasing the doping level. The relative content of Cr{sup 3+} ions in a crystal grown in the atmosphere with a high content of oxygen ({approx}12 vol %) was approximately lower by a factor of 1.5 than that in a crystal grown in the standard oxidation atmosphere. (active media)

  18. Analysis of OBrO, IO, and OIO absorption signature in UV-visible spectra measured at night and at sunrise by stratospheric balloon-borne instruments

    NASA Astrophysics Data System (ADS)

    Berthet, GwenaëL.; Renard, Jean-Baptiste; Chartier, Michel; Pirre, Michel; Robert, Claude

    2003-03-01

    Absorption bands of OBrO, IO, and OIO in the visible region have been investigated in the data of the AMON ("Absorption par les Minoritaires Ozone et Nox") and SALOMON ("Spectroscopie d'Absorption Lunaire pour l'Observation des Minoritaires Ozone et Nox") balloon-borne spectrometers used to obtain measurements in the nighttime stratosphere, since 1992 and 1998 respectively. The absorption features initially detected in AMON residual spectra and attributed to OBrO are also observable in SALOMON data with better accuracy. New estimates of OBrO cross-section amplitudes taking into account recent laboratory measurements are used for the OBrO retrieval. A consequence is that previously published OBrO concentration and mixing ratio values are revised downwards of around 40%. Further tests are performed to assess the consistency of the OBrO detection. No correlation exists between OBrO and NO2 vertical profiles which practically rules out the possibility for the structures ascribed to OBrO absorption to be due to remaining NO2 contributions. It is shown that variability of OBrO quantities at high latitudes obtained from various AMON and SALOMON flights is possibly linked to the chemical processes involving the production of OClO. At midlatitudes, the exceptional and unexpected conditions of the April 28, 1999 SALOMON flight allow us to observe the drop in OBrO concentrations just after sunrise. As expected, if previous studies of stratospheric iodine species are considered, IO and OIO absorption lines are never detected in the residual spectra. The presence of unknown structures in the residual spectra in the IO and OIO absorption regions is obvious and tends to distort the retrievals. The possibility that these remaining features result from a temperature dependence effect or uncertainties of O3 and/or NO2 cross-sections is suggested. Thus, more accurate laboratory measurements and sets of cross-sections for low temperature are needed.

  19. Absorption-mode Fourier transform mass spectrometry: the effects of apodization and phasing on modified protein spectra.

    PubMed

    Qi, Yulin; Li, Huilin; Wills, Rebecca H; Perez-Hurtado, Pilar; Yu, Xiang; Kilgour, David P A; Barrow, Mark P; Lin, Cheng; O'Connor, Peter B

    2013-06-01

    The method of phasing broadband Fourier transform ion cyclotron resonance (FT-ICR) spectra allows plotting the spectra in the absorption-mode; this new approach significantly improves the quality of the data at no extra cost. Herein, an internal calibration method for calculating the phase function has been developed and successfully applied to the top-down spectra of modified proteins, where the peak intensities vary by 100×. The result shows that the use of absorption-mode spectra allows more peaks to be discerned within the recorded data, and this can reveal much greater information about the protein and modifications under investigation. In addition, noise and harmonic peaks can be assigned immediately in the absorption-mode.

  20. High-resolution absorption spectroscopy of the OH 2Π3/2 ground state line

    NASA Astrophysics Data System (ADS)

    Wiesemeyer, H.; Güsten, R.; Heyminck, S.; Jacobs, K.; Menten, K. M.; Neufeld, D. A.; Requena-Torres, M. A.; Stutzki, J.

    2012-06-01

    The chemical composition of the interstellar medium is determined by gas phase chemistry, assisted by grain surface reactions, and by shock chemistry. The aim of this study is to measure the abundance of the hydroxyl radical (OH) in diffuse spiral arm clouds as a contribution to our understanding of the underlying network of chemical reactions. Owing to their high critical density, the ground states of light hydrides provide a tool to directly estimate column densities by means of absorption spectroscopy against bright background sources. We observed onboard the SOFIA observatory the 2Π3/2, J = 5/2 ← 3/2 2.5 THz line of ground-state OH in the diffuse clouds of the Carina-Sagittarius spiral arm. OH column densities in the spiral arm clouds along the sightlines to W49N, W51 and G34.26+0.15 were found to be of the order of 1014 cm-2, which corresponds to a fractional abundance of 10-7 to 10-8, which is comparable to that of H2O. The absorption spectra of both species have similar velocity components, and the ratio of the derived H2O to OH column densities ranges from 0.3 to 1.0. In W49N we also detected the corresponding line of 18OH.

  1. Line-Parameter Measurements and Stringent Tests of Line-Shape Models Based on Cavity-Enhanced Absorption Spectroscopy

    NASA Astrophysics Data System (ADS)

    Bielska, Katarzyna; Fleisher, Adam J.; Hodges, Joseph T.; Lin, Hong; Long, David A.; Reed, Zachary D.; Sironneau, Vincent; Truong, Gar-Wing; Wójtewicz, Szymon

    2014-06-01

    Laser methods that are based on cavity-enhanced absorption spectroscopy (CEAS) are well-suited for measuring molecular line parameters under conditions of low optical density, and as such they are complementary to broadband Fourier-transform spectroscopy (FTS) techniques. Attributes of CEAS include relatively low detection limits, accurate and precise detuning axes and high fidelity measurements of line shape. In many cases these performance criteria are superior to those obtained using direct laser absorption spectroscopy and FTS-based systems. In this presentation we will survey several examples of frequency-stabilized cavity ring-down spectroscopy (FS-CRDS)1 measurements obtained with laser spectrometers developed at the National Institute of Standards and Technology (NIST) in Gaithersburg Maryland. These experiments, which are motivated by atmospheric monitoring and remote-sensing applications that require high-precision and accuracy, involve nearinfrared transitions of carbon dioxide, water, oxygen and methane. We discuss spectra with signal-to-noise ratios exceeding 106, frequency axes with absolute uncertainties in the 10 kHz to 100 kHz range and linked to a Cs clock, line parameters with relative uncertainties at the 0.2 % level and isotopic ratios measured with a precision of 0.03 %. We also present FS-CRDS measurements of CO2 line intensities which are measured at atmospheric concentration levels and linked to gravimetric standards for CO2 in air, and we quantify pressure-dependent deviations between various theoretical line profiles and measured line shapes. Finally we also present recent efforts to increase data throughput and spectral coverage in CEAS experiments. We describe three new high-bandwidth CEAS techniques including frequency-agile, rapid scanning spectroscopy (FARS)2, which enables continuous-wave measurements of cavity mode linewidth and acquisition of ringdown decays with no dead time during laser frequency tuning, heterodyne

  2. Discovery of Hα Absorption in the Unusual Broad Absorption Line Quasar SDSS J083942.11+380526.3

    NASA Astrophysics Data System (ADS)

    Aoki, Kentaro; Iwata, Ikuru; Ohta, Kouji; Ando, Masataka; Akiyama, Masayuki; Tamura, Naoyuki

    2006-11-01

    We discovered Hα absorption in the broad Hα emission line of an unusual broad absorption line quasar, SDSS J083942.11+380526.3, at z=2.318, through near-infrared spectroscopy with the Cooled Infrared Spectrograph and Camera for OHS (CISCO) on the Subaru telescope. The presence of nonstellar Hα absorption is known only in the Seyfert galaxy NGC 4151 to date; thus, our discovery is the first case for quasars. The Hα absorption line is blueshifted by 520 km s-1 relative to the Hα emission line, and its redshift almost coincides with those of UV low-ionization metal absorption lines. The width of the Hα absorption (~340 km s-1) is similar to those of the UV low-ionization absorption lines. These facts suggest that the Hα and low-ionization metal absorption lines are produced by the same low-ionization gas, which has a substantial amount of neutral gas. The column density of the neutral hydrogen is estimated to be ~1018 cm-2 by assuming a gas temperature of 10,000 K from the analysis of the curve of growth. The continuum spectrum is reproduced by a reddened [E(B-V)~0.15 mag for the SMC-like reddening law] composite quasar spectrum. Furthermore, the UV spectrum of SDSS J083942.11+380526.3 shows a remarkable similarity to that of NGC 4151 in its low state, suggesting that the physical condition of the absorber in SDSS J083942.11+380526.3 is similar to that of NGC 4151 in the low state. As proposed for NGC 4151, SDSS J083942.11+380526.3 may also be seen through the edge of the obscuring torus. Based in part on data collected at Subaru Telescope, which is operated by the National Astronomical Observatory of Japan.

  3. Physical Properties of the Interstellar Medium Using High-resolution Chandra Spectra: O K-edge Absorption

    NASA Astrophysics Data System (ADS)

    Gatuzz, E.; García, J.; Mendoza, C.; Kallman, T. R.; Bautista, M. A.; Gorczyca, T. W.

    2014-08-01

    Chandra high-resolution spectra toward eight low-mass Galactic binaries have been analyzed with a photoionization model that is capable of determining the physical state of the interstellar medium. Particular attention is given to the accuracy of the atomic data. Hydrogen column densities are derived with a broadband fit that takes into account pileup effects, and in general are in good agreement with previous results. The dominant features in the oxygen-edge region are O I and O II Kα absorption lines whose simultaneous fits lead to average values of the ionization parameter of log ξ = -2.90 and oxygen abundance of A O = 0.70. The latter is given relative to the standard by Grevesse & Sauval, but rescaling with the revision by Asplund et al. would lead to an average abundance value fairly close to solar. The low average oxygen column density (N O = 9.2 × 1017 cm-2) suggests a correlation with the low ionization parameters, the latter also being in evidence in the column density ratios N(O II)/N(O I) and N(O III)/N(O I) that are estimated to be less than 0.1. We do not find conclusive evidence for absorption by any other compound but atomic oxygen in our oxygen-edge region analysis.

  4. Physical properties of the interstellar medium using high-resolution Chandra spectra: O K-edge absorption

    SciTech Connect

    Gatuzz, E.; Mendoza, C.; García, J.; Kallman, T. R.; Bautista, M. A.; Gorczyca, T. W. E-mail: claudio@ivic.gob.ve E-mail: manuel.bautista@wmich.edu E-mail: timothy.r.kallman@nasa.gov

    2014-08-01

    Chandra high-resolution spectra toward eight low-mass Galactic binaries have been analyzed with a photoionization model that is capable of determining the physical state of the interstellar medium. Particular attention is given to the accuracy of the atomic data. Hydrogen column densities are derived with a broadband fit that takes into account pileup effects, and in general are in good agreement with previous results. The dominant features in the oxygen-edge region are O I and O II Kα absorption lines whose simultaneous fits lead to average values of the ionization parameter of log ξ = –2.90 and oxygen abundance of A{sub O} = 0.70. The latter is given relative to the standard by Grevesse and Sauval, but rescaling with the revision by Asplund et al. would lead to an average abundance value fairly close to solar. The low average oxygen column density (N{sub O} = 9.2 × 10{sup 17} cm{sup –2}) suggests a correlation with the low ionization parameters, the latter also being in evidence in the column density ratios N(O II)/N(O I) and N(O III)/N(O I) that are estimated to be less than 0.1. We do not find conclusive evidence for absorption by any other compound but atomic oxygen in our oxygen-edge region analysis.

  5. High Precision Measurements of Line Mixing and Collisional Induced Absorption in the O_{2} A-Band

    NASA Astrophysics Data System (ADS)

    Adkins, Erin M.; Ghysels, Mélanie; Long, David A.; Hodges, Joseph T.

    2017-06-01

    Molecular oxygen (O_{2}) has a well-known and uniform molar fraction within the Earth's atmosphere. Consequently, the O_{2} A-band is commonly used in satellite and remote sensing measurements (GOSAT, OCO-2, TCCON) to determine the surface pressure-pathlength product for transmittance measurements that involve light propagation through the atmospheric column. For these missions, physics-based spectroscopic models and experimentally determined line-by-line parameters are used to predict the temperature- and pressure-dependence of the absorption cross-section as a function of wave number, pressure, temperature and water vapor concentration. At present, there remain airmass-dependent biases in retrievals of CO_{2} which are linked to limitations in existing models of line mixing (LM) and collisional induced absorption (CIA). In order to better quantify these effects, we measured O_{2} A-band spectra with a frequency-stabilized cavity ring-down spectroscopy (FS-CRDS) system. Because of the high molar fraction of O_{2} in air samples, line cores and near wings of the dominant absorption transitions are heavily saturated, which makes it impossible to obtain continuous FS-CRDS spectra over the entire range of optical depth. Here, we focused on LM and CIA effects which dominate the valleys between strongly absorbing transitions. To this end, the FS-CRDS system employs a thresholding mechanism that avoids the optically thick regions and scans over the entire O_{2} A-band and beyond the band head region. This approach provides high signal-to-noise ratio spectra that can be fit to yield LM and CIA parameters. These results are intended to provide strong constraints on multispectrum fits of continuous and broadband Fourier-transform-spectroscopy based O_{2} A-band spectra. Long D.A and J.T. Hodges, J. Geophys. Res. 2012, 117: p. D12309.

  6. Interstellar absorption lines in the spectrum of Gamma Velorum

    NASA Technical Reports Server (NTRS)

    Morton, D. C.; Bhavsar, S. P.

    1979-01-01

    Copernicus scans of selected interstellar absorption lines in the UV spectrum of Gamma Vel are analyzed, together with ground-based data, to obtain column densities for various ion states of C, N, O, Na, Mg, Al, Si, P, S, Cl, Ar, Ca, Mn, Fe, and CO. N I and O I are fitted to a single empirical curve of growth with a velocity parameter (b) of 8 km/s; Mg II, Si II, P II, S II, Mn II, and Fe II are fitted to another curve with b between 3 and 9 km/s. Abundance determinations relative to H I show that: (1) C, N, P, S, and Ar are probably close to their solar values; (2) O may be depleted by about a factor of 2; (3) Mg, Al, Si, Cl, Mn, and Fe are depleted by a factor of 4 or more: (4) Al is depleted by at least a factor of 10 in the H II region; and (5) both N V and O VI are present, but not C IV. The N V/O VI ratio implies that the electron temperature in the H II region is about 275,000 K.

  7. THE STELLAR INITIAL MASS FUNCTION IN EARLY-TYPE GALAXIES FROM ABSORPTION LINE SPECTROSCOPY. II. RESULTS

    SciTech Connect

    Conroy, Charlie; Van Dokkum, Pieter G.

    2012-11-20

    The spectral absorption lines in early-type galaxies contain a wealth of information regarding the detailed abundance pattern, star formation history, and stellar initial mass function (IMF) of the underlying stellar population. Using our new population synthesis model that accounts for the effect of variable abundance ratios of 11 elements, we analyze very high quality absorption line spectra of 38 early-type galaxies and the nuclear bulge of M31. These data extend to 1 {mu}m and they therefore include the IMF-sensitive spectral features Na I, Ca II, and FeH at 0.82 {mu}m, 0.86 {mu}m, and 0.99 {mu}m, respectively. The models fit the data well, with typical rms residuals {approx}< 1%. Strong constraints on the IMF and therefore the stellar mass-to-light ratio, (M/L){sub stars}, are derived for individual galaxies. We find that the IMF becomes increasingly bottom-heavy with increasing velocity dispersion and [Mg/Fe]. At the lowest dispersions and [Mg/Fe] values the derived IMF is consistent with the Milky Way (MW) IMF, while at the highest dispersions and [Mg/Fe] values the derived IMF contains more low-mass stars (is more bottom-heavy) than even a Salpeter IMF. Our best-fit (M/L){sub stars} values do not exceed dynamically based M/L values. We also apply our models to stacked spectra of four metal-rich globular clusters in M31 and find an (M/L){sub stars} that implies fewer low-mass stars than a MW IMF, again agreeing with dynamical constraints. We discuss other possible explanations for the observed trends and conclude that variation in the IMF is the simplest and most plausible.

  8. Extent and structure of intervening absorbers from absorption lines redshifted on quasar emission lines

    NASA Astrophysics Data System (ADS)

    Bergeron, J.; Boissé, P.

    2017-07-01

    Aims: We wish to study the extent and sub-parsec spatial structure of intervening quasar absorbers, mainly those involving cold neutral and molecular gas. Methods: We have selected quasar absorption systems with high spectral resolution and a good signal-to-noise ratio data, with some of their lines falling on quasar emission features. By investigating the consistency of absorption profiles seen for lines formed either against the quasar continuum source or on the much more extended (Lyα-N v, C iv or Lyβ-O vi) emission line region (ELR), we can probe the extent and structure of the foreground absorber over the extent of the ELR ( 0.3-1 pc). The spatial covering analysis provides constraints on the transverse size of the absorber and thus is complementary to variability or photoionisation modelling studies, which yield information on the absorber size along the line of sight. The methods we used to identify spatial covering or structure effects involve line profile fitting and curve-of-growth analysis. Results: We have detected three absorbers with unambiguous non-uniformity effects in neutral gas. For the extreme case of the Fe I absorber at zabs = 0.45206 towards HE 0001-2340, we derive a coverage factor of the ELR of at most 0.10 and possibly very close to zero; this implies an overall absorber size no larger than 0.06 pc. For the zabs = 2.41837 C I absorber towards QSO J1439+1117, absorption is significantly stronger towards the ELR than towards the continuum source in several C I and C I⋆ velocity components, pointing to spatial variations of their column densities of about a factor of two and to structures at the 100 au-0.1 pc scale. The other systems with firm or possible effects can be described in terms of a partial covering of the ELR, with coverage factors in the range 0.7-1. The overall results for cold neutral absorbers imply a transverse extent of about five times the ELR size or smaller, which is consistent with other known constraints. Although

  9. Accurate modeling of fluorescence line narrowing difference spectra: Direct measurement of the single-site fluorescence spectrum

    NASA Astrophysics Data System (ADS)

    Reppert, Mike; Naibo, Virginia; Jankowiak, Ryszard

    2010-07-01

    Accurate lineshape functions for modeling fluorescence line narrowing (FLN) difference spectra (ΔFLN spectra) in the low-fluence limit are derived and examined in terms of the physical interpretation of various contributions, including photoproduct absorption and emission. While in agreement with the earlier results of Jaaniso [Proc. Est. Acad. Sci., Phys., Math. 34, 277 (1985)] and Fünfschilling et al. [J. Lumin. 36, 85 (1986)], the derived formulas differ substantially from functions used recently [e.g., M. Rätsep et al., Chem. Phys. Lett. 479, 140 (2009)] to model ΔFLN spectra. In contrast to traditional FLN spectra, it is demonstrated that for most physically reasonable parameters, the ΔFLN spectrum reduces simply to the single-site fluorescence lineshape function. These results imply that direct measurement of a bulk-averaged single-site fluorescence lineshape function can be accomplished with no complicated extraction process or knowledge of any additional parameters such as site distribution function shape and width. We argue that previous analysis of ΔFLN spectra obtained for many photosynthetic complexes led to strong artificial lowering of apparent electron-phonon coupling strength, especially on the high-energy side of the pigment site distribution function.

  10. Ratio of Dust to Metal Abundance in Quasar Absorption Line Systems from 1.9 < z < 3.3

    NASA Astrophysics Data System (ADS)

    Stawinski, Stephanie; Malhotra, Sangeeta

    2017-01-01

    Measuring the ratio of dust to metal abundance in quasar absorption line systems will provide insight to the chemical evolution of galaxies, dust formation, and dust properties in the early universe. Quasar absorption systems allow us to study the abundance of dust from many different redshifts, in this project up to z ~ 3.3 for absorber redshift. The absorption bump at 2175 Å is a broad, but strong, dust feature within the UV-optical wavelength range. This feature, if detected, can be directly related to the optical depth of the dust in the absorbing systems. However, the 2175 Å bump is very broad, having a full-width half-maximum approximately 350 * (1 + z) Å, and therefore hard to distinguish from a single spectrum. To find this bump, it is important to co-add many quasar spectra. In this project, we look at how the abundance of dust compares to that of metals for 105 quasar spectra with strong damped Lyman alpha systems with absorber redshifts ranging from 1.9 < z < 3.3. From these spectra, we created a composite spectrum to analyze the 2175 Å bump and the absorption of heavy elements. We will present the results including the strength of the 2175 Å feature found in our composite spectrum.

  11. Multicomponent Analysis of the UV Si IV and C IV Broad Absorption Troughs in BALQSO Spectra: The Examples of J01225 + 1339 and J02287 + 0002

    NASA Astrophysics Data System (ADS)

    Stathopoulos, D.; Danezis, E.; Lyratzi, E.; Antoniou, A.; Tzimeas, D.

    2015-12-01

    Broad Absorption Line QSOs (BALQSOs) are a subtype of radio-quite QSOs that exhibit complex and unusually broad (FWHM ≥ 2,000 km/s) absorption lines. The existence of these lines in BALQSO spectra raises some questions with respect to the properties, the physical conditions and kinematics of the BAL material as well as the morphology of BAL troughs. In this study, taking into consideration the clumpy structure of the AGN outflow winds, we propose a physical model in order to explain the formation of BAL troughs and we give the mathematical description of this model. We also propose a method for analyzing spectroscopically the BAL profiles in the UV region of the electromagnetic spectrum. This method consists of the criteria we set during the fitting process of BAL troughs. The purpose of these criteria is to enable us to determine the exact number of components needed to simulate accurately the BAL troughs and guarantee the uniqueness of the fit. We give an application of the model and the method for Si IV and C IV resonance lines in the case of two BALQSOs. From the analysis, we conclude that the BAL material is in the form of clouds (density enhancements) that move radially and intercept the line-of-sight to the central continuum source. Using our method, we find the number of absorption components needed to simulate the BAL profiles, which means the number of clouds in the line-of-sight. We calculate the velocity shifts, the FWHM and the optical depths of the absorption components of BALs and we propose an internal structure for these clouds. Finally, we give some correlations between the properties of absorption components of Si IV and C IV.

  12. Presence of C2 molecular Lines in Sunspot Umbral Spectra

    NASA Astrophysics Data System (ADS)

    Sriramachandran, P.; Sindhan, R.; Ramaswamy, S.; Shanmugavel, R.

    2016-10-01

    The C2 molecule is well known for its astrophysical importance. The radiative transition parameters that include Franck-Condon (FC) factor, r-centroid, electronic transition moment, Einstein coefficient, absorption band oscillator strength, effective temperatures and radiative life time have been estimated for the Swan band (d3Πg -a3Πu) system of C2 molecule for experimentally observed vibrational levels using RKR (Rydberg-Klein-Rees) potential energy curve. The lifetime for the d3Πg state of C2 molecule was found to be 82.36 ns for the v‧ = 0 level. A reliable numerical integration method has been used to solve the radial Schrödinger equation for the vibrational wave functions of upper and lower electronic states based on the latest available spectroscopic data and known wavelengths. The estimated radiative transition parameters are tabulated. The effective vibrational temperature of Swan band system of C2 molecule is found agreed with the effective rotational temperature from photosphere spectrum. Hence, the radiative transition parameters and effective temperatures help us to ascertain the presence of C2 molecule in the interstellar medium, photosphere and sunspots.

  13. Breaking of symmetrical charge distribution in xanthylocyanine chromophores detecting by their absorption spectra

    NASA Astrophysics Data System (ADS)

    Vasyluk, S. V.; Viniychuk, O. O.; Poronik, Ye. M.; Kovtun, Yu. P.; Shandura, M. P.; Yashchuk, V. M.; Kachkovsky, O. D.

    2011-03-01

    A detailed experimental investigation and quantum-chemical analysis of symmetrical cyanines with xanthylium and its substituted derivatives and with different polymethine chain (containing 1 and 2 vinylene groups) have been performed with the goal of understanding the nature of the electronic transitions in molecules. It is established electronic transitions in carbocyanines are similar to that in the typical Brooker's cyanines. In contrast, the absorption spectra of dicarbocyanines demonstrate a strong solvent dependence and substantial band broadening represented by the growth of the short wavelength shoulder. Basing on the results of the quantum-chemical calculation and conception of the mobile solitonic-like charge waves, we have concluded that the dicarbocyanines exist in two charged forms in the ground state with symmetrical and unsymmetrical distributions of the charge density. These are the examples of the cationic cyanines with the shortest chain when the symmetry breaking occurs.

  14. Simulation of X-ray absorption spectra with orthogonality constrained density functional theory†

    PubMed Central

    Derricotte, Wallace D.; Evangelista, Francesco A.

    2015-01-01

    Orthogonality constrained density functional theory (OCDFT) 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. PMID:25690350

  15. 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.

  16. kspectrum: an open-source code for high-resolution molecular absorption spectra production

    NASA Astrophysics Data System (ADS)

    Eymet, V.; Coustet, C.; Piaud, B.

    2016-01-01

    We present the kspectrum, scientific code that produces high-resolution synthetic absorption spectra from public molecular transition parameters databases. This code was originally required by the atmospheric and astrophysics communities, and its evolution is now driven by new scientific projects among the user community. Since it was designed without any optimization that would be specific to any particular application field, its use could also be extended to other domains. kspectrum produces spectral data that can subsequently be used either for high-resolution radiative transfer simulations, or for producing statistic spectral model parameters using additional tools. This is a open project that aims at providing an up-to-date tool that takes advantage of modern computational hardware and recent parallelization libraries. It is currently provided by Méso-Star (http://www.meso-star.com) under the CeCILL license, and benefits from regular updates and improvements.

  17. Electronic absorption spectra of cresyl violet acetate in anisotropic and isotropic solvents

    NASA Astrophysics Data System (ADS)

    Jafari, A.; Ghanadzadeh, A.; Tajalli, H.; Yeganeh, M.; Moghadam, M.

    2007-03-01

    The isotropic and anisotropic solvation characteristics of cresyl violet acetate (CVA) were investigated in isotropic liquid solutions and in polar nematic matrices as a function of the solvent type and concentration. The interaction of the ionic dye with the anisotropic surrounding and with that of the isotropic solvents was investigated and compared. The experimental result suggests that the nematic liquid crystalline solvents might create stronger solvation than the isotropic solvents. The spectral shifts were correlated by the solvent permittivity and Kamlet-Taft parameters. The polarized absorption spectra of cresyl violet acetate were measured between 400 and 800 nm and the dichroic ratio R and degree of anisotropy S of this dye in the liquid crystalline host determined.

  18. 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.

  19. 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.

  20. VARIABILITY OF WATER AND OXYGEN ABSORPTION BANDS IN THE DISK-INTEGRATED SPECTRA OF EARTH

    SciTech Connect

    Fujii, Yuka; Suto, Yasushi; Turner, Edwin L.

    2013-03-10

    We study the variability of major atmospheric absorption features in the disk-integrated spectra of Earth with future application to Earth-analogs in mind, concentrating on the diurnal timescale. We first analyze observations of Earth provided by the EPOXI mission, and find 5%-20% fractional variation of the absorption depths of H{sub 2}O and O{sub 2} bands, two molecules that have major signatures in the observed range. From a correlation analysis with the cloud map data from the Earth Observing Satellite (EOS), we find that their variation pattern is primarily due to the uneven cloud cover distribution. In order to account for the observed variation quantitatively, we consider a simple opaque cloud model, which assumes that the clouds totally block the spectral influence of the atmosphere below the cloud layer, equivalent to assuming that the incident light is completely scattered at the cloud top level. The model is reasonably successful, and reproduces the EPOXI data from the pixel-level EOS cloud/water vapor data. A difference in the diurnal variability patterns of H{sub 2}O and O{sub 2} bands is ascribed to the differing vertical and horizontal distribution of those molecular species in the atmosphere. On Earth, the inhomogeneous distribution of atmospheric water vapor is due to the existence of its exchange with liquid and solid phases of H{sub 2}O on the planet's surface on a timescale short compared with atmospheric mixing times. If such differences in variability patterns were detected in spectra of Earth-analogs, it would provide the information on the inhomogeneous composition of their atmospheres.

  1. Variability of Water and Oxygen Absorption Bands in the Disk-integrated Spectra of Earth

    NASA Astrophysics Data System (ADS)

    Fujii, Yuka; Turner, Edwin L.; Suto, Yasushi

    2013-03-01

    We study the variability of major atmospheric absorption features in the disk-integrated spectra of Earth with future application to Earth-analogs in mind, concentrating on the diurnal timescale. We first analyze observations of Earth provided by the EPOXI mission, and find 5%-20% fractional variation of the absorption depths of H2O and O2 bands, two molecules that have major signatures in the observed range. From a correlation analysis with the cloud map data from the Earth Observing Satellite (EOS), we find that their variation pattern is primarily due to the uneven cloud cover distribution. In order to account for the observed variation quantitatively, we consider a simple opaque cloud model, which assumes that the clouds totally block the spectral influence of the atmosphere below the cloud layer, equivalent to assuming that the incident light is completely scattered at the cloud top level. The model is reasonably successful, and reproduces the EPOXI data from the pixel-level EOS cloud/water vapor data. A difference in the diurnal variability patterns of H2O and O2 bands is ascribed to the differing vertical and horizontal distribution of those molecular species in the atmosphere. On Earth, the inhomogeneous distribution of atmospheric water vapor is due to the existence of its exchange with liquid and solid phases of H2O on the planet's surface on a timescale short compared with atmospheric mixing times. If such differences in variability patterns were detected in spectra of Earth-analogs, it would provide the information on the inhomogeneous composition of their atmospheres.

  2. Specific absorption spectra of hemoglobin at different PO2 levels: potential noninvasive method to detect PO2 in tissues

    NASA Astrophysics Data System (ADS)

    Liu, Peipei; Zhu, Zhirong; Zeng, Changchun; Nie, Guang

    2012-12-01

    Hemoglobin (Hb), as one of main components of blood, has a unique quaternary structure. Its release of oxygen is controlled by oxygen partial pressure (PO2). We investigate the specific spectroscopic changes in Hb under different PO2 levels to optimize clinical methods of measuring tissue PO2. The transmissivity of Hb under different PO2 levels is measured with a UV/Vis fiber optic spectrometer. Its plotted absorption spectral curve shows two high absorption peaks at 540 and 576 nm and an absorption valley at 560 nm when PO2 is higher than 100 mm Hg. The two high absorption peaks decrease gradually with a decrease in PO2, whereas the absorption valley at 560 nm increases. When PO2 decreases to approximately 0 mm Hg, the two high absorption peaks disappear completely, while the absorption valley has a hypochromic shift (8 to 10 nm) and forms a specific high absorption peak at approximately 550 nm. The same phenomena can be observed in visible reflectance spectra of finger-tip microcirculation. Specific changes in extinction coefficient and absorption spectra of Hb occur along with variations in PO2, which could be used to explain pathological changes caused by tissue hypoxia and for early detection of oxygen deficiency diseases in clinical monitoring.

  3. Specific absorption spectra of hemoglobin at different PO2 levels: potential noninvasive method to detect PO2 in tissues.

    PubMed

    Liu, Peipei; Zhu, Zhirong; Zeng, Changchun; Nie, Guang

    2012-12-01

    Hemoglobin (Hb), as one of main components of blood, has a unique quaternary structure. Its release of oxygen is controlled by oxygen partial pressure (PO2). We investigate the specific spectroscopic changes in Hb under different PO2 levels to optimize clinical methods of measuring tissue PO2. The transmissivity of Hb under different PO2 levels is measured with a UV/Vis fiber optic spectrometer. Its plotted absorption spectral curve shows two high absorption peaks at 540 and 576 nm and an absorption valley at 560 nm when PO2 is higher than 100 mm Hg. The two high absorption peaks decrease gradually with a decrease in PO2, whereas the absorption valley at 560 nm increases. When PO2 decreases to approximately 0 mm Hg, the two high absorption peaks disappear completely, while the absorption valley has a hypochromic shift (8 to 10 nm) and forms a specific high absorption peak at approximately 550 nm. The same phenomena can be observed in visible reflectance spectra of finger-tip microcirculation. Specific changes in extinction coefficient and absorption spectra of Hb occur along with variations in PO2, which could be used to explain pathological changes caused by tissue hypoxia and for early detection of oxygen deficiency diseases in clinical monitoring.

  4. The Hubble Space Telescope Quasar Absorption Line Key Project. 10: Galactic H I 21 centimeter emission toward 143 quasars and active Galactic nuclei

    NASA Technical Reports Server (NTRS)

    Lockman, Felix J.; Savage, Blair D.

    1995-01-01

    Sensitive H I 21 cm emission line spectra have been measured for the directions to 143 quasars and active galactic nuclei (AGNs) chosen from the observing lists for the Hubble Space Telescope (HST) Quasar Absorption Line Key Project. Narrow-band and wide-band data were obtained with the National Radio Astronomy Observatory (NRAO) 43 m radio telescope for each object. The narrow-band data have a velocity resolution of 1 km/s, extend from -220 to +170 km/s, and are corrected for stray 21 cm radiation. The wide-band data have a resolution of 4 km/s and extend from -1000 to +1000 km/s. The data are important for the interpretation of ultraviolet absorption lines near zero redshift in Key Project spectra. Twenty-two percent of the quasars lie behind Galactic high-velocity H I clouds with absolute value of V(sub LSR) greater than 100 km/s whose presence can increase the equivalent width of interstellar absorption lines significantly. This paper contains the emission spectra and measures of the H I velocities and column densities along the sight line to each quasar. We discuss how the measurements can be used to estimate the visual and ultraviolet extinction toward each quasar and to predict the approximate strength of the strong ultraviolet resonance lines of neutral gas species in the HST Key Project spectra.

  5. Tracing inflows and outflows with absorption lines in circumgalactic gas

    NASA Astrophysics Data System (ADS)

    Ford, Amanda Brady; Davé, Romeel; Oppenheimer, Benjamin D.; Katz, Neal; Kollmeier, Juna A.; Thompson, Robert; Weinberg, David H.

    2014-10-01

    We examine how H I and metal absorption lines within low-redshift galaxy haloes trace the dynamical state of circumgalactic gas, using cosmological hydrodynamic simulations that include a well-vetted heuristic model for galactic outflows. We categorize inflowing, outflowing, and ambient gas based on its history and fate as tracked in our simulation. Following our earlier work, showing that the ionization level of absorbers was a primary factor in determining the physical conditions of absorbing gas, we show here that it is also a governing factor for its dynamical state. Low-ionization metal absorbers (e.g. Mg II) tend to arise in gas that will fall on to galaxies within several Gyr, while high-ionization metal absorbers (e.g. O VI) generally trace material that was deposited by outflows many Gyr ago. Inflowing gas is dominated by enriched material that was previously ejected in an outflow; hence, accretion at low redshifts is typically substantially enriched. Recycling wind material is preferentially found closer to galaxies, and is more dominant in lower mass haloes since high-mass haloes have more hot gas that is able to support itself against infall. Low-mass haloes also tend to re-eject more of their accreted material, owing to our outflow prescription that employs higher mass loading factors for lower mass galaxies. Typical H I absorbers trace unenriched ambient material that is not participating in the baryon cycle, but stronger H I absorbers arise in cool, enriched inflowing gas. Instantaneous radial velocity measures of absorbers are generally poor at distinguishing between inflowing and outflowing gas, except in the case of very recent outflows. These results suggest that probing halo gas using a range of absorbers can provide detailed information about the amount and physical conditions of material that is participating in the baryon cycle.

  6. 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.

  7. 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.

  8. Progress in the Theory and Interpretation of X-ray Absorption Spectra

    NASA Astrophysics Data System (ADS)

    Rehr, J. J.

    2002-03-01

    There has been dramatic progress in recent years in the understanding of x-ray absorption spectra (XAS) [1]. For example, modern real space multiple scattering theory has yielded a quantitative treatment of the extended fine structure in XAS. Crucial in the theory is a treatment of electronic excited states including many-body effects such as inelastic losses and Debye-Waller factors. These developments have led to ab initio codes which permit an interpretation of the spectra in terms of geometrical and electronic properties of materials [2]. Indeed, the availability of such codes has revolutionized experimental investigations based on synchrotron radiation x-ray sources. Algorithmic improvements have recently made possible fast, parallel calculations of the near edge structure (XANES) [3], and approximate treatments of local field effects and many-body amplitude factors. Related techniques have been applied to several other spectroscopies, e.g., anomalous x-ray scattering, x-ray magnetic circular dichroism, and photoelectron diffraction [4]. [1] J. J. Rehr and R. C. Albers, Rev. Mod. Phys. 72, 621 (2000); [2] A. L. Ankudinov, B. Ravel, J.J. Rehr, and S. Conradson, Phys. Rev. B 58, 7565 (1998); [3] A. L. Ankudinov, C. E. Bouldin, J. J. Rehr, J. Sims, and H. Hung, Phys. Rev. B, in press (2002); [4] F. J. Garcia de Abajo, M. A. Van Hove, C. S. Fadley, Phys. Rev. B 63, 075404 (2001).

  9. Polarized absorption spectra of single crystals of lunar pyroxenes and olivines.

    NASA Technical Reports Server (NTRS)

    Burns, R. G.; Huggins, F. E.; Abu-Eid, R. M.

    1972-01-01

    Measurements have been made of the polarized absorption spectra (360-2200 nm) of compositionally zoned pyroxene minerals in rocks 10045, 10047 and 10058 and olivines in rocks 10020 and 10022. The Apollo 11 pyroxenes with relatively high Ti/Fe ratios were chosen initially to investigate the presence of crystal field spectra of Fe(2+) and Ti(3+) ions in the minerals. Broad intense bands at about 1000 and 2100 nm arise from spin-allowed, polarization-dependent transitions in Fe(2+) ions in pyroxenes. Several weak sharp peaks occur in the visible region. Peaks at 402, 425, 505, 550, and 585 nm represent spin-forbidden transitions in Fe(2+) ions, while broader bands at 460-470 nm and 650-660 nm are attributed to Ti(3+) ions. Charge transfer bands, which in terrestrial pyroxenes often extend into the visible region, are displaced to shorter wavelengths in lunar pyroxenes. This feature correlates with the absence of Ti(3+) ions in these minerals.

  10. 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

  11. 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.

  12. Total Absorption Spectroscopy of Fission Fragments Relevant for Reactor Antineutrino Spectra and Decay Heat Calculations

    NASA Astrophysics Data System (ADS)

    Porta, A.; Zakari-Issoufou, A.-A.; Fallot, M.; Algora, A.; Tain, J. L.; Valencia, E.; Rice, S.; Bui, V. M.; Cormon, S.; Estienne, M.; Agramunt, J.; Äystö, J.; Bowry, M.; Briz, J. A.; Caballero-Folch, R.; Cano-Ott, D.; Cucouanes, A.; Elomaa, V.-V.; Eronen, T.; Estévez, E.; Farrelly, G. F.; Garcia, A. R.; Gelletly, W.; Gomez-Hornillos, M. B.; Gorlychev, V.; Hakala, J.; Jokinen, A.; Jordan, M. D.; Kankainen, A.; Karvonen, P.; Kolhinen, V. S.; Kondev, F. G.; Martinez, T.; Mendoza, E.; Molina, F.; Moore, I.; Perez-Cerdán, A. B.; Podolyák, Zs.; Penttilä, H.; Regan, P. H.; Reponen, M.; Rissanen, J.; Rubio, B.; Shiba, T.; Sonzogni, A. A.; Weber, C.

    2016-03-01

    Beta decay of fission products is at the origin of decay heat and antineutrino emission in nuclear reactors. Decay heat represents about 7% of the reactor power during operation and strongly impacts reactor safety. Reactor antineutrino detection is used in several fundamental neutrino physics experiments and it can also be used for reactor monitoring and non-proliferation purposes. 92,93Rb are two fission products of importance in reactor antineutrino spectra and decay heat, but their β-decay properties are not well known. New measurements of 92,93Rb β-decay properties have been performed at the IGISOL facility (Jyväskylä, Finland) using Total Absorption Spectroscopy (TAS). TAS is complementary to techniques based on Germanium detectors. It implies the use of a calorimeter to measure the total gamma intensity de-exciting each level in the daughter nucleus providing a direct measurement of the beta feeding. In these proceedings we present preliminary results for 93Rb, our measured beta feedings for 92Rb and we show the impact of these results on reactor antineutrino spectra and decay heat calculations.

  13. Time-Dependent Density Functional Calculations of Ligand K-Edge X-Ray Absorption Spectra

    SciTech Connect

    DeBeer George, S.; Petrenko, T.; Neese, F.

    2007-07-10

    X-ray absorption spectra (XAS) at the Cl and S K edge and Mo L edge have been calculated at the TDDFT level for a series of dioxomolybdenum complexes LMoO{sub 2}X (L = hydrotris(3,5-dimethyl-1-pyrazolyl)borate, X = Cl, SCH{sub 2}Ph, OPh), which play an important role in modeling the catalytic cycle of the sulfite oxidase enzyme. Also, the XAS spectra of model molecules of the Mo complexes have been simulated and interpreted in terms of the Mo 4d orbital splitting, in order to find possible correlations with the spectral pattern of the complexes. Comparison with the available experimental data allows us to assess the performances of the present computational scheme to describe the core excitations in large bioinorganic systems. The theoretical interpretation of the spectral features of both the metal and ligand core excitations in terms of the oscillator strength distribution provides important insight into the covalency of the metal-ligand bond.

  14. Linewidth Extraction From the THz Absorption Spectra Using a Modified Lorentz Model

    NASA Astrophysics Data System (ADS)

    Li, Zhi; Zhang, Zhaohui; Zhao, Xiaoyan; Su, Haixia; Zhang, Han; Lan, Jinhui

    2013-10-01

    Identification of specific materials is one of the most promising THz applications. It is commonly achieved by comparing the experimental peak central frequencies of the transmission or absorption spectra with a database for known materials while neglecting the linewidths. However, due to the restriction of the signal-to-noise ratio, only a narrow band, extending from several hundred GHz to several THz, can be used. It is difficult to distinguish two materials from each other if their peaks' central frequencies are similar. In this paper, we present a modified Lorentz model by taking the scattering effect into account. The modified Lorentz model can be used for the extraction of reliable absorption peak parameters, i.e. the central frequency and linewidth. On comparison with our experiments, we observed that the parameters extracted using the modified Lorentz model in glutamine samples of different concentrations exhibited a better agreement than those obtained using the traditional model. Therefore, the utilization of the narrow THz band to identify materials can be improved by comparing both the central frequency and linewidth obtained from this method.

  15. Ultraviolet spectra of quenched carbonaceous composite derivatives: Comparison to the '217 nanometer' interstellar absorption feature

    NASA Astrophysics Data System (ADS)

    Sakata, Akira; Wada, Setsuko; Tokunaga, Alan T.; Narisawa, Takatoshi; Nakagawa, Hidehiro; Ono, Hiroshi

    1994-07-01

    QCCs (quenched carbonaceous composite) are amorphous 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 resembles 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 filmy 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.

  16. 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.

  17. The influence of thermolysis time on the absorption spectra of polyvinyl chloride in acetophenone

    NASA Astrophysics Data System (ADS)

    Rasmagin, S. I.; Krasovskii, V. I.; Vlasov, D. V.; Apresyan, L. A.; Vlasova, T. V.; Kryshtoba, V. I.; Feofanov, I. N.; Kazaryan, M. A.

    2015-12-01

    The influence of thermolysis time on the absorption spectra of partially thermally dehydrochlorinated polyvinyl chloride in acetophenone solution is studied. Strong increase in the optical density Dλ of the dehydrochlorinated PVC samples is caused by the increasing amount N-C=C- and the length of chains of conjugated double bonds of carbon -C = C-. It is noted that the optical density Dλ first increases linearly with dehydrochlorination time and then reaches saturation. The estimation of amount of double conjugated carbon bonds in 1ml versus thermolysis time t is given, which varies between N-C=C- = 4.1017 - 7.4.1018 for t from 40 to 420 minutes. The effective capture cross section of a photon on conjugated double bonds of carbon for dehydrochlorinated PVC solution in acetophenone is estimated, which was about 10-17 cm2 . The analysis is done of the absorption curves «red» shift to longer wavelengths with growth of N-C=C- upon increase of thermolysis time. It is noted that the dependence of the optical density on the wavelength in this range is well described by a simple exponential function.

  18. C-13 NMR chemical shifts and visible absorption spectra of unsymmetrical fluoran dye by MO calculations

    NASA Astrophysics Data System (ADS)

    Hoshiba, T.; Ida, T.; Mizuno, M.; Otsuka, T.; Takaoka, K.; Endo, K.

    2002-01-01

    An unsymmetrical fluoran dye, 3-diethylamino-6-methyl-7-chlorofluoran (DEAMCF) is one of the leuco dyes which shows the coloring-to-decoloring reversible reaction with acidity. We calculated the 13C chemical shieldings of the DEAMCF with the frame model compounds using ab initio gauge invariant atomic orbital methods, and compared it with the experimental shifts. The calculated values of the frame compounds are in good agreement with the experimental ones in the error range of -4.9-16.7 ppm. The calculated ones for the decolored-form of the DEAMCF reflected the observed ones, although the errors range from -13.4 to 23.1 ppm. Furthermore, we analyzed the UV-Visible absorption spectra of the decolored and colored forms of DEAMCF by a semiempirical ZINDO MO method. For the colored form, the observed absorption peaks at 550 and 510 nm correspond to the excitation from π-bonding HOMO (π-electrons which conjugated in xanthene ring) and π-bonding nearest HOMO (π-electrons concentrated in benzene-ring with methyl and Cl groups of xanthene) to π ∗-antibonding LUMO (π ∗-electrons of xanthene), respectively.

  19. A combination spectrophotometer for measuring electronic absorption, natural circular dichroism, and magnetic circular dichroism spectra

    NASA Astrophysics Data System (ADS)

    Policke, Timothy A.; Schreiner, Anton F.; Trexler, Jack W.; Knopp, James A.

    1990-08-01

    The design, construction, and evaluation of a combination spectrometer for measuring electronic absorption (EA), natural circular dichroism (CD), and magnetic circular dichroism (MCD) are described. Around the optical components of a JASCO ORD/UV-5 spectropolarimeter, a new EA/CD/MCD instrument was built with the realized intentions of increasing sensitivity and upgrading the analog tube type circuitry to a solid-state digitally, computer-controlled spectrophotometer. It is a flexible, dynamic, and user-controllable system, interfaced to an Apple II Plus computer, for studying instrument and signal parameters. The monochromator (M), photoelastic modulator (PEM), photomultiplier tube applied voltage (PMHV), and photomultiplier tube dc output current (PMdc) are under complete and independent software control. Our system has two unique aspects for obtaining the circular dichroism. First, the ac signal is measured with a voltage-to-frequency (V/f) converter; and, second, both the ac and the dc are independently recorded and their ratio is digitally calculated. This design has several advantages which include the elimination of voltage divider integrated circuits or division electronics, a wide dynamic range, a greater precision of ac values at low percentages of full scale, and the capability of continuous integration over long time periods. Also, both types of spectra, EA and CD or MCD, are obtained from the current output of the PM. This paper not only describes the design of the instrument for obtaining the two types of spectra but also compares four methods of obtaining the circular dichroism. Sensitivities of ˜1×10-7ΔA units are achievable as determined by measuring CD spectra of the well-known enantiomer (+)-[Co(en)3]3+.

  20. Absorption spectra of isomeric OH adducts of 1,3,7-trimethylxanthine

    SciTech Connect

    Vinchurkar, M.S.; Rao, B.S.M.; Mohan, H.; Mittal, J.P.; Schmidt, K.H.; Jonah, C.D.

    1997-04-17

    The reactions of OH{sup .}, O{sup .-}, and SO{sub 4}{sup .-} with 1,3,7-trimethylxanthine (caffeine) were studied by pulse radiolysis with optical and conductance detection techniques. The absorption spectra of transients formed in OH{sup .} reaction in neutral solutions exhibited peaks at 310 and 335 nm, as well as a broad absorption maximum at 500 nm, which decayed by first-order kinetics. The rate (k = (4.0 {+-} 0.5) x 10{sup 4} s{sup -1}) of this decay is independent of pH in the range 4-9 and is in agreement with that determined from the conductance detection (k = 4 x 10{sup 4} s{sup -1}). The spectrum in acidic solutions has only a broad peak around 330 nm with no absorption in the higher wavelength region. The intermediates formed in reaction of O{sup .-} absorb around 310 and at 350 nm, and the first-order decay at the latter wavelength was not seen. The OH radical adds to C-4 (X-40H{sup .}) and C-8 (X-80H{sup .}) positions of caffeine in the ratio 1:2 as determined from the redox titration and conductivity measurements. H abstraction from the methyl group is an additional reaction channel in O{sup .-} reaction. Dehydroxylation of the X-40H{sup .} adduct occurs, whereas the X-80H{sup .} adduct does not undergo ring opening. The spectrum obtained for OH{sup .} reaction in oxygenated solutions is similar to that observed in SO{sub 4}{sup .-} reaction in basic solutions. 25 refs., 5 figs., 1 tab.