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Sample records for qso absorption spectra

  1. Constraining The Reionization History With QSO Absorption Spectra

    NASA Astrophysics Data System (ADS)

    Gallerani, S.; Choudhury, T. R.; 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 PopIII 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. An example of simulated spectra is provided by FIG.1. 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 width distribution. We find that 35 (zero) per cent of the lines of sight within 5.750Å in the rest frame of the QSO if re-ionization is not (is) complete at z>~6 (FIG.2). Similarly, the ERM predicts peaks of width ~1Å in 40 per cent of the lines of sight in the redshift range 6.0-6.6; in the same range, LRM predicts no peaks of width >0.8Å (FIG.3). 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.

  2. 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.

  3. Continuum Fitting HST QSO Spectra

    NASA Technical Reports Server (NTRS)

    Tytler, David; Oliversen, Ronald J. (Technical Monitor)

    2002-01-01

    The Principal Component Analysis (PCA) method which we are using to fit and describe QSO spectra relies upon the fact that QSO continuum are generally very smooth and simple except for emission and absorption lines. To see this we need high signal-to-noise (S/N) spectra of QSOs at low redshift which have relatively few absorption lines in the Lyman-a forest. We need a large number of such spectra to use as the basis set for the PCA analysis which will find the set of principal component spectra which describe the QSO family as a whole. We have found that too few HST spectra have the required S/N and hence we need to supplement them with ground based spectra of QSOs at higher redshift. We have many such spectra and we have been working to make them suitable for this analysis. We have concentrated on this topic since 12/15/01.

  4. Bounds on the fine structure constant variability from Fe ii absorption lines in QSO spectra

    NASA Astrophysics Data System (ADS)

    Molaro, P.; Reimers, D.; Agafonova, I. I.; Levshakov, S. A.

    2008-10-01

    The Single Ion Differential α Measurement (SIDAM)method for measuring Δα/α and its figures of merit are illustrated together withthe results produced by means of Fe ii absorption linesof QSO intervening systems. The method providesΔα/α = -0.12 ±1.79 ppm (parts-per-million) at zabs = 1.15towards HE 0515-4414 and Δα/α = 5.66±2.67 ppm at zabs = 1.84towards Q 1101-264, which are so far the most accurate measurementsfor single systems. SIDAM analysis for 3 systems from the Chand et al. [1]sample provides inconsistent results which we interpret as due tocalibration errors of the Chand et al. data at the level ≈10 ppm.In one system evidence for photo-ionization Dopplershift between Mg ii and Fe ii lines is found.This evidence has important bearings on the Many Multipletmethod where the signal for Δα/αvariabilityis carried mainly by systems involving Mg ii absorbers.Some correlations are also found in the Murphy et al. [10] sample which suggestlarger errors than previously reported.Thus, we consider unlikely that both the Chand et al.and Murphy et al. datasets could providean estimate of Δα/α with an accuracy at the level of 1 ppm.A new spectrograph like the ESPRESSO projectwill be crucial to make progress in the astronomical determination of Δα/α.

  5. The bispectrum of the Lyman α forest at z~ 2-2.4 from a large sample of UVES QSO absorption spectra (LUQAS)

    NASA Astrophysics Data System (ADS)

    Viel, M.; Matarrese, S.; Heavens, A.; Haehnelt, M. G.; Kim, T.-S.; Springel, V.; Hernquist, L.

    2004-01-01

    We present a determination of the bispectrum of the flux in the Lyman α forest of quasi-stellar object (QSO) absorption spectra obtained from a large sample of Ultraviolet Echelle Spectrograph (UVES) QSO absorption spectra (LUQAS), which consists of spectra observed with the high-resolution UVES. Typical errors on the observed bispectrum as obtained from a jack-knife estimator are ~ 50 per cent. For wavenumbers in the range 0.03 < k < 0.1 s km-1 the observed bispectrum agrees within the errors with that of the synthetic absorption spectra obtained from numerical hydro-simulations of a ΛCDM model with and without feedback from star formation. Including galactic feedback changes the bispectrum by less than 10 per cent. At smaller wavenumbers, the associated metal absorption lines contribute about 50 per cent to the bispectrum and the observed bispectrum exceeds that of the simulations. At wavenumbers k < 0.03 s km-1, second-order perturbation theory applied to the flux spectrum gives a reasonable (errors smaller than 30 per cent) approximation to the bispectra of observed and simulated absorption spectra. The bispectrum of the observed absorption spectra also agrees, within the errors, with that of a randomized set of absorption spectra where a random shift in wavelength has been added to absorption lines identified with VPFIT. This suggests that for a sample of the size presented here, the errors on the bispectrum are too large to discriminate between models with very different 3D distribution of Lyman α absorption. If it were possible to substantially reduce these errors for larger samples of absorption spectra, the bispectrum might become an important statistical tool for probing the growth of gravitational structure in the Universe at redshift z>~ 2.

  6. Investigation of Lyman-limit absorption in QSO spectra - indirect evidence for evolution of the multicomponent nature of the absorbers

    SciTech Connect

    Lanzetta, K.M.

    1988-09-01

    This paper reexamines the redshift distribution of the class of QSO absorption-line systems that are optically-thick to Lyman continuum radiation (i.e., the Lyman-limit systems LLS), using a sample of 129 QSOs for which suitable data are available. It was found that the LLSs are uniformly distributed in velocity, relative to the background QSOs, and that the rate of incidence of the systems does not strongly evolve with redshift; the observed redshift distribution is consistent with nonevolving absorbers in a standard Friedmann cosmology with the deceleration parameter equal to 0.5. The reason for the discrepancy of this finding with data published on systems selected on the basis of Mg II absorption is discussed. It is suggested that the number of separate velocity components comprising the Mg II absorption lines decreases with time. 63 references.

  7. Properties of low-redshift QSO absorption systems - QSO-galaxy pairs

    NASA Technical Reports Server (NTRS)

    Womble, Donna S.

    1993-01-01

    The chance proximity of QSOs and galaxies provides unique opportunities to probe the extent and content of gas in the foreground galaxies through evaluation of the incidence and strength of absorption lines in the spectra of the background QSOs. Recent results on the observed properties of these low-redshift, heavy-element absorption systems are summarized. These results are discussed in the context of the galaxy morphologies and environments and are briefly compared with Galactic absorption and with the inferred properties of higher-redshift QSO absorption systems.

  8. Probing the extent and content of low ionization gas in galaxies: QSO absorption and HI emission

    NASA Technical Reports Server (NTRS)

    Womble, Donna S.

    1993-01-01

    The small projected separations of some QSO's and low-redshift galaxies provide unique opportunities to study the extent and content of gas in galaxies through observation of absorption in the QSO spectra. Observations of these systems provide valuable information on the connection between the absorbing gas and the galaxy, as well as detailed information on the morphology and environment of the galaxy itself. While there is direct evidence that galaxies can produce the intervening-type QSO absorption lines, over the past decade, the study of such 'QSO-galaxy pairs' (at low redshift) has been considered unsuccessful because new detections of absorption were seldom made. A fundamental problem concerning the relation between these low-redshift systems and those seen at moderate to high redshift remains unresolved. Direct and indirect measures of galaxy absorption cross sections at moderate to high redshifts (z is approximately greater than 20.5) are much larger than the optical and HI sizes of local galaxies. However, direct comparison of the low and moderate to high redshift systems is difficult since different ions are observed in different redshift regimes. Observations are presented for a new sample of QSO-galaxy pairs. Nine new QSO's which shine through nearby galaxies (on the sky-plane) were observed to search for CaII absorption in the QSO spectra at the foreground galaxy redshifts.

  9. Abundances in 8 QSO Absorption Line Systems

    NASA Astrophysics Data System (ADS)

    Lauroesch, James Thomas

    1995-01-01

    An analysis is given of high resolution observations of metal-absorption line systems in the spectra of 4 QSOs made with the echelle spectrograph on the Mayall 4-meter telescope at Kitt Peak National Observatory. High spectral -resolution (9 to 18 km cdot s^{ -1}) observations were obtained for the QSOs S5 0014 + 813, H 0913 + 072, B2 1225 + 317, and HS 1946 + 7658; column densities were derived for the heavy element line systems. Abundances and/or abundance ratios have been determined for 8 systems and a variety of H I column densities in the redshift range 1-3.4 are probed. The systems studies are generally relatively poor in heavy elements, and appear to be similar in heavy element abundances to the gas out of which the Galactic halo stars of similar metallicity formed. Indications of the halo star-abundance sample include the observed ratios of (N/Si), (Al/Si), and (Mn/Fe). The existence of associated H II regions is inferred for a number of damped systems, and it is suggested that the possibly significant amount of gas in H II regions in damped Lyman-alpha systems can be constrained by the comparison of the column densities of O I, N I, N II, Si II, and S II in these systems. The ratio of N(Al II)/N(Al III) is shown to be a poor indicator of the amount of ionized gas in some cases. The abundances of Si as determined from N(Si II)/N(H I) suggest that there is a relatively rapid decrease in abundances in these systems at z _sp{ ~}> 2. Such a decrease in abundances is what would be expected if the galactic (thin) disks did not form before redshifts of z {~} 2. The use of Si II is important, since the weakness of the Zn II lines at low abundances (due to the low relative abundance of Zn compared to elements such as Si) will result in few detections, and in upper limits that are difficult to interpret. The observed drop in abundances is consistent with the decrease in number of heavy-element absorption systems at high redshifts, a result that is found in

  10. Intermediate-redshift galaxy halos - Results from QSO absorption lines

    SciTech Connect

    Lanzetta, K.M.; Bowen, D. Royal Greenwich Observatory, Cambridge )

    1990-07-01

    For a sample of Mg II-selected QSO absorption-line systems for which the absorbing galaxies have been successfully identified, the rest-frame equivalent widths of the Mg II 2796-A absorption lines are examined as a function of the known impact parameters between the background QSOs and the absorbing galaxies. There appears to exist a relationship between the equivalent widths and the impact parameters, in the sense that larger equivalent widths occur at smaller impact parameters. No trend of the doublet ratio is found with impact parameter, and neither the equivalent widths nor the doublet ratios are correlated with the absolute luminosities or redshifts of the absorbing galaxies. These results apparently indicate that the main factor that determines the equivalent width of a particular absorption system is the impact parameter between the background QSO and the absorbing galaxy. 32 refs.

  11. The low-ion QSO absorption-line systems

    SciTech Connect

    Lanzetta, K.M.

    1988-01-01

    Various techniques are used to investigate the class of QSO absorption-line systems that exhibit low-ion absorption lines. Four separate investigations are conducted as follows: Spectroscopy of 32 QSOs at red wavelengths is presented and used to investigate intermediate-redshift MgII absorption. A total of 22 Mg II doublets are detected, from which properties of the Mg II absorbers are derived. Marginal evidence for intrinsic evolution of the number density of the Mg II absorbers with redshift is found. The data are combined with previous observations of C IV and C II seen in the same QSOs at blue wavelengths, and the properties of Mg II- and C IV-selected systems are compared. A sample is constructed of 129 QSOs for which are available published data suitable for detecting absorption-line systems that are optically thick to Lyman continuum radiation. A total of 53 such Lyman-limit systems are found, from which properties of the Lyman-limit systems are derived. It is found that the rate of incidence of the systems does not strongly evolved with redshift. This result is contrasted with the evolution found previously for systems selected on the basis of Mg II absorption. Spectroscopy at red wavelengths of eight QSOs with known damped Ly{alpha} absorption systems is presented. Spectroscopic and spectrophotometric observations aimed at detecting molecular hydrogen and dust in the z = 2.796 damped Ly{alpha} absorber toward Q1337 + 113 are presented.

  12. Detection of a z=0.0515, 0.0522 absorption system in the QSO S4 0248+430 due to an intervening galaxy

    NASA Technical Reports Server (NTRS)

    Womble, Donna S.; Junkkarinen, Vesa T.; Cohen, Ross D.; Burbidge, E. Margaret

    1990-01-01

    In some of the few cases where the line of sight to a Quasi-Stellar Object (QSO) passes near a galaxy, the galaxy redshift is almost identical to an absorption redshift in the spectrum of the QSO. Although these relatively low redshift QSO-galaxy pairs may not be typical of the majority of the narrow heavy-element QSO absorption systems, they provide a direct measure of column densities in the outer parts of galaxies and some limits on the relative abundances of the gas. Observations are presented here of the QSO S4 0248+430 and a nearby anonymous galaxy (Kuhr 1977). The 14 second separation of the line of sight to the QSO (z sub e = 1.316) and the z=0.052 spiral galaxy, (a projected separation of 20 kpc ((h sub o = 50, q sub o = 0)), makes this a particularly suitable pair for probing the extent and content of gas in the galaxy. Low resolution (6A full width half maximum), long slit charge coupled device (CCD) spectra show strong CA II H and K lines in absorption at the redshift of the galaxy (Junkkarinen 1987). Higher resolution spectra showing both Ca II H and K and Na I D1 and D2 in absorption and direct images are reported here.

  13. 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.

  14. 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.

  15. Variability of broad absorption lines in QSO SDSS J022844.09+000217.0 on multiyear time-scales

    NASA Astrophysics Data System (ADS)

    He, Zhi-Cheng; Bian, Wei-Hao; Jiang, Xiao-Lei; Wang, Yue-Feng

    2014-09-01

    The variability of broad absorption lines is investigated for a broad-absorption-line (BAL) quasar (QSO), SDSS J022844.09+000217.0 (z = 2.719), with 18 Sloan Digital Sky Survey (SDSS)/Baryon Oscillation Spectroscopic Survey (BOSS) spectra covering 4128 d in the observed frame. Using the ratio of the root-mean-square (rms) spectrum to the mean spectrum, the relative flux change of the BAL trough is larger than that of the emission lines and the continuum. Fitting a power-law continuum and the emission-line profiles of C IV λ1549 and Si IVλ1399, we calculate the equivalent width (EW) for different epochs, as well as the continuum luminosity and the spectral index. It is found that there is a strong correlation between the BAL-trough EW and the spectral index and a weak negative correlation between the BAL-trough EW and the continuum luminosity. The strong correlation between the BAL-trough EW and the spectral index for this particular QSO suggests that dust is intrinsic to outflows. The weak correlation between the BAL variability and the continuum luminosity for this particular QSO implies that the BAL-trough variation is not dominated by photoionization.

  16. Broad Balmer Absorption Line Variability: Evidence of Gas Transverse Motion in the QSO SDSS J125942.80+121312.6

    NASA Astrophysics Data System (ADS)

    Shi, Xiheng; Zhou, Hongyan; Shu, Xinwen; Zhang, Shaohua; Ji, Tuo; Pan, Xiang; Sun, Luming; Zhao, Wen; Hao, Lei

    2016-03-01

    We report on the discovery of broad Balmer absorption lines variability in the QSO SDSS J125942.80+121312.6, based on the optical and near-infrared spectra taken from the SDSS-I, SDSS-III Baryon Oscillation Spectroscopic Survey (BOSS), and TripleSpec observations over a timescale of 5.8 years in the QSO's rest-frame. The blueshifted absorption profile of Hβ shows a variation of more than 5σ at a high velocity portion (\\gt 3000 {km} {{{s}}}-1) of the trough. We perform a detailed analysis for the physical conditions of the absorber using Balmer lines as well as metastable He i and optical Fe ii absorptions (λ4233 from b4P5/2 level and λ5169 from a6S5/2) at the same velocity. These Fe ii lines are identified in the QSO spectra for the first time. According to the photoionization simulations, we estimate a gas density of n({{H}})≈ {10}9.1 {{cm}}-3 and a column density of {N}{col}({{H}})≈ {10}23 {{cm}}-2 for the BOSS data, but the model fails to predict the variations of ionic column densities between the SDSS and BOSS observations if changes in ionizing flux are assumed. We thus propose transverse motion of the absorbing gas being the cause of the observed broad Balmer absorption line variability. In fact, we find that the changes in covering factors of the absorber can well-reproduce all of the observed variations. The absorber is estimated ∼0.94 pc away from the central engine, which is where the outflow likely experiences deceleration due to the collision with the surrounding medium. This scheme is consistent with the argument that LoBAL QSOs may represent the transition from obscured star-forming galaxies to classic QSOs.

  17. A correlation test of the intrinsic interpretation of QSO absorption redshifts

    NASA Technical Reports Server (NTRS)

    Opher, R.

    1975-01-01

    It is noted that the general intrinsic interpretation of QSO absorption redshifts predicts a high probability of clustering for the expulsion velocities of clouds ejected from a QSO core and that a correlation function has been defined which depends on the probability of clustering of three or more expulsion velocities. A test of this correlation is formulated which utilizes data on pairs of QSOs with similar emission redshifts and at least three well established absorption redshifts with corresponding expulsion velocities greater than 0.02c. It is shown that the correlation should be positive (maximum value +100%) if the absorption systems are intrinsic and correlated, zero if there is no physical connection among these systems, and negative if a strong anticorrelation exists or QSOs tend to eject one or two clouds at well separated characteristic velocities. Data on five QSOs are analyzed, and large positive values are obtained for the correlations.

  18. 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.

  19. NE VIII lambda 774 and time variable associated absorption in the QSO UM 675

    NASA Technical Reports Server (NTRS)

    Hamann, Fred; Barlow, Thomas A.; Beaver, E. A.; Burbidge, E. M.; Cohen, Ross D.; Junkkarinen, Vesa; Lyons, R.

    1995-01-01

    We discuss measurements of Ne VIII lambda 774 absorption and the time variability of other lines in the z(sub a) approximately equal z(sub e) absorption system of the z(sub e) = 2.15 QSO UM 675 (0150-203). The C IV lambda 1549 and N V 1240 doublets at z(sub a) = 2.1340 (shifted approximately 1500 km/s from z(sub e) strengthened by a factor of approximately 3 between observations by Sargent, Boksenberg and Steidel (1981 November) and our earliest measurements (1990 November and December). We have no information on changes in other z(sub a) approximately equal z(sub e) absorption lines. Continued monitoring since 1990 November shows no clear changes in any of the absorptions between approximately 1100 and 1640 A rest. The short timescale of the variability (less than or approximately equal to 2.9 yr rest) strongly suggests that the clouds are dense, compact, close to the QSO, and photoionized by the QSO continuum. If the line variability is caused by changes in the ionization, the timescale requires densities greater than approximately 4000/cu cm. Photoionization calculations place the absorbing clouds within approximately 200 pc of the continuum source. The full range of line ionizations (from Ne VIII lambda 774 to C III lambda 977) in optically thin gas (no Lyman limit) implies that the absorbing regions span a factor of more than approximately 10 in distance or approximately 100 in density. Across these regions, the total hydrogen (H I + H II) column ranges from a few times 10(exp 18)/sq cm in the low-ionization gas to approximately 10(exp 20)/sq cm where the Ne VIII doublet forms. The metallicity is roughly solar or higher, with nitrogen possibly more enhanced by factors of a few. The clouds might contribute significant line emission if they nearly envelop the QSO. The presence of highly ionized Ne VIII lambda 774 absorption near the QSO supports recent studies that link z(sub a) approximately equal to z(sub e) systems with X-ray 'wamr absorbers. We show that the

  20. Clear evidence for the presence of O VI absorption in QSO metal systems

    NASA Technical Reports Server (NTRS)

    Lu, Limin; Savage, Blair D.

    1993-01-01

    We have detected O VI 1031.93 A, 1037.62 A doublet absorption in a composite QSO spectrum formed from a large number of intervening C IV absorption systems. The detections constitute the first firm evidence for the presence of O VI in intervening QSO metal absorption systems. The equivalent width of the detected O VI absorption implies an O VI column density N(O VI) not less than 2.8 x 10 exp 14/sq cm. This value, together with the nondetection of the N V 1238.82 A, 1242.80 A doublet absorption, suggests that N(O VI)/N(N V) not less than 4.4. For collisionally ionized gas with a solar O to N abundance ratio in thermal equilibrium the above ratio requires a temperature T not less than 2.5 x 10 exp 5 K. It is found that C IV systems which show low-ionization species and those which do not both have associated O VI absorption, suggesting that O VI is probably present in all C IV systems. We also find that C IV systems which show low-ionization species on average have stronger high-ionization absorption lines than those which do not. A simple interpretation was given to explain this trend.

  1. Fine-structure Constancy Measurements in QSO Absorption Lines

    NASA Astrophysics Data System (ADS)

    Whitmore, Jonathan B.

    2013-01-01

    The ESO Large Programme 185.A-0745 has awarded 10 nights on the VLT-UVES spectrograph for the study of the possible variation in the fine structure constant. We will present the fine-structure measurements from two lines of sight and several absorption systems. We will also present updated systematic error analyses.

  2. 1E 0104.2 + 3153 - A broad absorption-line QSO viewed through a giant elliptical galaxy

    NASA Technical Reports Server (NTRS)

    Stocke, J. T.; Liebert, J.; Schild, R.; Gioia, I. M.; Maccacaro, T.

    1984-01-01

    The optical identification of the X-ray source 1E 0104.2 + 3153 is complicated by the close projection of a broad absorption-line (BAL) QSO (z = 2.027) 10 arcsec from a giant elliptical galaxy (z = 0.111) at the center of a compact group of galaxies. At only 1.2 de Vaucouleur radii (16 kpc for H sub 0 = 100 km/s Mpc) this QSO-galaxy projection is the closest yet discovered. Based upon current observations, the source of the X-ray emission cannot be conclusively determined. Present in the BAL QSO spectrum are extremely strong Ca II H and K absorption lines due to the intervening galaxy, the first optical detection of the cold interstellar medium in an elliptical galaxy. The strength of these lines (EW = 2 and 1 A) requires observation through several interstellar clouds in the line of sight to the QSO. By its proximity to the central regions of the elliptical galaxy and the relative distances of the galaxy and QSO, this QSO is a particularly good candidate for observing dramatic transient gravitational lensing phenomena due to halo stars in the foreground galaxy.

  3. Clustering properties of high matter density peaks from UVES observations of QSO pairs

    NASA Astrophysics Data System (ADS)

    D'Odorico, V.

    2003-06-01

    The association of high H 0 column density absorption systems in QSO spectra with galactic objects has been widely verified at redshifts up to z ~ 1, by direct imaging of QSO fields and follow-up spectroscopy (Guillemin & Bergeron 1997; Le Brun et al. 1997). We study the transverse clustering properties of these tracers of high matter density peaks, by looking for coincident absorption systems in adjacent lines of sight toward QSO pairs and groups (D'Odorico et al. 2002).

  4. Ultraviolet Broad Absorption Features and the Spectral Energy Distribution of the QSO PG 1351+641. 2.5

    NASA Technical Reports Server (NTRS)

    Zheng, W.; Kriss, G. A.; Wang, J. X.; Brotherton, M.; Oegerle, W. R.; Blair, W. P.; Davidsen, A. F.; Green, R. F.; Hutchings, J. B.; Kaiser, M. E.; Fisher, Richard R. (Technical Monitor)

    2001-01-01

    We present a moderate-resolution (approximately 20 km/s) spectrum of the broad-absorption line QSO PG 1351+64 between 915-1180 angstroms, obtained with the Far Ultraviolet Spectroscopic Explorer (FUSE). Additional low-resolution spectra at longer wavelengths were also obtained with the Hubble Space Telescope (HST) and ground-based telescopes. Broad absorption is present on the blue wings of C III lambda977, Ly-beta, O VI lambda-lambda-1032,1038, Ly-alpha, N V lambda-lambda-1238,1242, Si IV lambda-lambda-1393,1402, and C IV lambda-lambda-1548,1450. The absorption profile can be fitted with five components at velocities of approximately -780, -1049, -1629, -1833, and -3054 km/s with respect to the emission-line redshift of z = 0.088. All the absorption components cover a large fraction of the continuum source as well as the broad-line region. The O VI emission feature is very weak, and the O VI/Ly-alpha flux ratio is 0.08, one of the lowest among low-redshift active galaxies and QSOs. The ultraviolet continuum shows a significant change in slope near 1050 angstroms in the restframe. The steeper continuum shortward of the Lyman limit extrapolates well to the observed weak X-ray flux level. The absorbers' properties are similar to those of high-redshift broad absorption-line QSOs. The derived total column density of the UV absorbers is on the order of 10(exp 21)/s, unlikely to produce significant opacity above 1 keV in the X-ray. Unless there is a separate, high-ionization X-ray absorber, the QSO's weak X-ray flux may be intrinsic. The ionization level of the absorbing components is comparable to that anticipated in the broad-line region, therefore the absorbers may be related to broad-line clouds along the line of sight.

  5. Ultraviolet Broad Absorption Features and the Spectral Energy Distribution of the QSO PG 1351+64. 3.1

    NASA Technical Reports Server (NTRS)

    Zheng, W.; Kriss, G. A.; Wang, J. X.; Brotherton, M.; Oegerle, W. R.; Blair, W. P.; Davidsen, A. F.; Green, R. F.; Hutchings, J. B.; Kaiser, M. E.; Fisher, R. (Technical Monitor)

    2001-01-01

    We present a moderate-resolution (approximately 20 km s(exp -1) spectrum of the mini broad absorption line QSO PG 1351+64 between 915-1180 A, obtained with the Far Ultraviolet Spectroscopic Explorer (FUSE). Additional low-resolution spectra at longer wavelengths were also obtained with the Hubble Space Telescope (HST) and ground-based telescopes. Broad absorption is present on the blue wings of C III (lambda)977, Ly(beta), O VI (lambda)(lambda)1032,1038, Ly(alpha), N V (lambda)(lambda)1238,1242, Si IV (lambda)(lambda)1393,1402, and C IV (lambda)(lambda)1548,1450. The absorption profile can be fitted with five components at velocities of approximately -780, -1049, -1629, -1833, and -3054 km s(exp -1) with respect to the emission-line redshift of z = 0.088. All the absorption components cover a large fraction of the continuum source as well as the broad-line region. The O VI emission feature is very weak, and the O VI/Ly(alpha) flux ratio is 0.08, one of the lowest among low-redshift active galaxies and QSOs. The UV (ultraviolet) continuum shows a significant change in slope near 1050 A in the restframe. The steeper continuum shortward of the Lyman limit extrapolates well to the observed weak X-ray flux level. The absorbers' properties are similar to those of high-redshift broad absorption-line QSOs. The derived total column density of the UV absorbers is on the order of 10(exp 21) cm(exp -2), unlikely to produce significant opacity above 1 keV in the X-ray. Unless there is a separate, high-ionization X-ray absorber, the QSO's weak X-ray flux may be intrinsic. The ionization level of the absorbing components is comparable to that anticipated in the broad-line region, therefore the absorbers may be related to broad-line clouds along the line of sight.

  6. QSO absorption lines: The UV rest frame from 0

    NASA Astrophysics Data System (ADS)

    Churchill, Christopher W.

    1997-05-01

    By charting the kinematic, chemical, and ionization conditions of galactic and intergalactic gas over the redshift range 0-4 with QSO absorption lines, the evolution of chemical abundances, the UV meta-galactic background, and the clustering dynamics of galactic gas can be studied. Keck/HIRES Mg II λ2796 profiles arising in z~1 galaxies are presented and the Mg II kinematic clustering function is given. The intriguing z=0.93 systems toward Q1206+459 are shown and compared to z~2 Keck/HIRES C IV profiles to illustrate how HST/STIS can be exploited for studies of the high ionization conditions in z<=1 Mg II selected systems. The scientific motives and plans for a large IR 2<=z<=4 Mg II survey with the Hobby-Eberly Telescope are presented.

  7. Correlation of QSO absorption lines in universes dominated by cold dark matter

    NASA Technical Reports Server (NTRS)

    Salmon, J.; Hogan, C.

    1986-01-01

    Theoretical predictions for the redshift correlations between QSO absorption-line systems are investigated in the context of 'cold dark matter' cosmological models. Particles in 'particle-mesh' N-body simulations are interpreted as absorbing clouds at epochs corresponding to mean redshifts, z, of 0.0, 1.25, and 3.0. The velocity correlation function for absorbing clouds is found by passing lines-of-sight through the systems and computing velocity differences for those particles which lie close to the lines. It depends strongly on z and Omega but only weakly, if at all, on the number density, diameter or mass of the clouds. Two interpretations are possible: (1) the heavy element absorption systems are associated with galaxies which are an unbiased sample of the mass distribution in an Omega(0) = 0.2 universe or (2) the Lyman-alpha absorbers are an unbiased sample of the mass in an Omega(0) = 1 universe and the heavy-element absorption systems, like galaxies, are more strongly clustered than the mass.

  8. The Dust, Nebular Emission, and Dependence on QSO Radio Properties of the Associated Mg II Absorption Line Systems

    NASA Astrophysics Data System (ADS)

    Khare, Pushpa; Berk Daniel, Vanden; Rahmani, Hadi; York, Donald G.

    2014-10-01

    We studied dust reddening and [O II] emission in 1730 Mg II associated absorption systems (AAS; relative velocity with respect to QSOs, <=3000 km s-1 in units of velocity of light, β, <=0.01) with 0.4 <=z abs <= 2 in the Sloan Digital Sky Survey DR7, focusing on their dependence on the radio and other QSO properties. We used control samples, several with matching radio properties, to show that (1) AAS in radio-detected (RD) QSOs cause 2.6 ± 0.2 times higher dust extinction than those in radio-undetected (RUD) ones, which in turn cause 2.9 ± 0.7 times the dust extinction in the intervening systems; (2) AAS in core-dominated QSOs cause 2.0 ± 0.1 times higher dust extinction than those in lobe-dominated QSOs; (3) the occurrence of AAS is 2.1 ± 0.2 times more likely in RD QSOs than in RUD QSOs and 1.8 ± 0.1 time more likely in QSOs having black holes with masses larger than 1.23 × 109 M ⊙ than in those with lower-mass black holes; and (4) there is excess flux in [O II]λ3727 emission in the composite spectra of the AAS samples compared with those of the control samples, which is at the emission redshift. The presence of AAS enhances the O II emission from the active galactic nucleus and/or the host galaxy. This excess is similar for both RD and RUD samples and is 2.5 ± 0.4 times higher in lobe-dominated samples than in core-dominated samples. The excess depends on the black hole mass and Eddington ratio. All these point to the intrinsic nature of the AAS except for the systems with z abs > z em, which could be infalling galaxies.

  9. Ca II and Na I absorption in the QSO S4 0248 + 430 due to an intervening galaxy

    NASA Technical Reports Server (NTRS)

    Womble, Donna S.; Junkkarinen, Vesa T.; Cohen, Ross D.; Burbidge, E. Margaret

    1990-01-01

    Observations of the QSO S4 0248 + 430 and a nearby anonymous galaxy are presented. Two absorption components are found in both Ca II H and K and Na I D1 and D2 at z(a) = 0.0515, 0.0523. Column densities of log N(Ca II) = 13.29, 13.50, and log N(Na I) = 13.79, 14.18 are found for z(a) = 0.0515, 0.0523 absorption systems, respectively. The column density ratios imply considerable calcium depletion and disk-type absorbing gas. At least one and possibly both absorption components are produced by high-velocity gas. A broadband image of the field shows an asymmetrical armlike feature or possible tidal tail covering and extending past the position of the QSO. The presence of this extended feature and the apparent difference between the absorption velocities and galaxy rotation velocity suggest that the absorbing gas is not ordinary disk gas, but rather is a result of tidal disruption.

  10. The spatial and kinematic structure of QSO metal-line absorption systems

    NASA Technical Reports Server (NTRS)

    Lanzetta, Kenneth M.

    1992-01-01

    Recent attempts to infer the spatial and kinematic distributions of the material responsible for absorption lines observed in the spectra of background QSOs are presented. Current models of the absorbing regions are compared, and initial observational results are described. This research is expected to lead eventually to a detailed picture of the extended gaseous halo regions of galaxies at early evolutionary stages and to an understanding of the physical processes at work in these halos.

  11. The dust, nebular emission, and dependence on QSO radio properties of the associated Mg II absorption line systems

    SciTech Connect

    Khare, Pushpa; Daniel, Vanden Berk; Rahmani, Hadi; York, Donald G.

    2014-10-10

    We studied dust reddening and [O II] emission in 1730 Mg II associated absorption systems (AAS; relative velocity with respect to QSOs, ≤3000 km s{sup –1}; in units of velocity of light, β, ≤0.01) with 0.4 ≤z {sub abs} ≤ 2 in the Sloan Digital Sky Survey DR7, focusing on their dependence on the radio and other QSO properties. We used control samples, several with matching radio properties, to show that (1) AAS in radio-detected (RD) QSOs cause 2.6 ± 0.2 times higher dust extinction than those in radio-undetected (RUD) ones, which in turn cause 2.9 ± 0.7 times the dust extinction in the intervening systems; (2) AAS in core-dominated QSOs cause 2.0 ± 0.1 times higher dust extinction than those in lobe-dominated QSOs; (3) the occurrence of AAS is 2.1 ± 0.2 times more likely in RD QSOs than in RUD QSOs and 1.8 ± 0.1 time more likely in QSOs having black holes with masses larger than 1.23 × 10{sup 9} M {sub ☉} than in those with lower-mass black holes; and (4) there is excess flux in [O II]λ3727 emission in the composite spectra of the AAS samples compared with those of the control samples, which is at the emission redshift. The presence of AAS enhances the O II emission from the active galactic nucleus and/or the host galaxy. This excess is similar for both RD and RUD samples and is 2.5 ± 0.4 times higher in lobe-dominated samples than in core-dominated samples. The excess depends on the black hole mass and Eddington ratio. All these point to the intrinsic nature of the AAS except for the systems with z {sub abs} > z {sub em}, which could be infalling galaxies.

  12. 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.

  13. X-Raying the Ultraluminous Infrared Starburst Galaxy and Broad Absorption Line QSO Markarian 231 with Chandra

    NASA Technical Reports Server (NTRS)

    Gallagher, S. C.; Brandt, W. N.; Chartas, G.; Garmire, G. P.; Sambruna, R. M.

    2002-01-01

    With 40 ks of Clzandra ACIS-S3 exposure, new information on both the starburst and QSO components of the X-ray emission of Markarian 231, an ultraluminous infrared galaxy and broad absorption line QSO, has been obtained. The bulk of the X-ray luminosity is emitted from an unresolved nuclear point source, and the spectrum is remarkably hard, with the majority of the flux emitted above 2 keV. Most notably, significant nuclear variability (a decrease of -45% in approximately 6 hr) at energies above 2 keV indicates that Chuizdra has probed within light-hours of the central black hole. Although we concur with Maloney & Reynolds that the direct continuum is not observed, this variability coupled with the 188 eV upper limit on the equivalent width of the Fe K o emission line argues against the reflection-dominated model put forth by these authors based on their ASCA data. Instead, we favor a model in which a small, Compton-thick absorber blocks the direct X-rays, and only indirect, scattered X-rays from multiple lines of sight can reach the observer. Extended soft, thermal emission encompasses the optical extent of the galaxy and exhibits resolved structure. An off-nuclear X-ray source with a 0.35-8.0 keV luminosity of Lx = 7 x 10 sup39 ergs s sup -1 , consistent with the ultraluminous X-ray sources in other nearby starbursts, is detected. We also present an unpublished Faint Object Spectrograph spectrum from the Hirhhle Spuce Telescope archive showing the broad C IV absorption.

  14. Variable X-Ray Absorption in the Mini-BAL QSO PG 1126-041

    NASA Technical Reports Server (NTRS)

    Giustini, M.; Cappi, M.; Chartas, G.; Dadina, M.; Eracleous, M.; Ponti, G.; Proga, D.; Tombesi, F.; Vignali, C.; Palumbo, G. G. C.

    2011-01-01

    Context. X-ray studies of AGN with powerful nuclear winds are important to constrain the physics of the inner accretion/ejection flow around SMBH, and to understand the impact of such winds on the AGN environment. Aims. Our main scientific goal is to constrain the properties of a variable outflowing absorber that is thought to be launched near the SMBH of the mini-BAL QSO PG 1126-041 using a multi-epoch observational campaign performed with XMM-Newton. Methods. We performed temporally resolved X-ray spectroscopy and simultaneous UV and X-ray photometry on the most complete set of observations and on the deepest X-ray exposure of a mini-BAL QSO to date. Results. We found complex X-ray spectral variability on time scales of both months and hours, best reproduced by means of variable massive ionized absorbers along the line of sight. As a consequence, the observed optical-to-X-ray spectral index is found to be variable with time. In the highest signal-to-noise observation we detected highly ionized X-ray absorbing material outflowing much faster (u(sub X) approx. 16 500 km/s) than the UV absorbing one (u(sub uv) approx. 5,000 km/s). This highly ionized absorber is found to be variable on very short (a few kiloseconds) time scales. Conclusions. Our findings are qualitatively consistent with line driven accretion disk winds scenarios. Our observations have opened the time-resolved X-ray spectral analysis field for mini-BAL QSOs; only with future deep studies will we be able to map the dynamics of the inner flow and understand the physics of AGN winds and their impact on the environment.

  15. Creating semiconductor metafilms with designer absorption spectra

    NASA Astrophysics Data System (ADS)

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

    2015-07-01

    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.

  16. Creating semiconductor metafilms with designer absorption spectra.

    PubMed

    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

  17. 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

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

    NASA Technical Reports Server (NTRS)

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

    1994-01-01

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

  19. Absorption spectra of cold dilute solid solutions

    SciTech Connect

    Holland, R.F.; Maier, W.B. II; Freund, S.; Beattie, W.H.

    1983-06-01

    Infrared absorption spectra have been obtained for some compounds trapped in crystalline solids by freezing liquid Xe, Kr, Ar, or CH/sub 4/ solutions. The optical quality of the solid solutions is good, and they have been cooled to approx.80 K in 1.35 cm sample thicknesses to study the absorption in fundamental vibrational bands of the solutes. In the cases discussed, the bands are narrow, with observed full widths at half-maximum absorbance 0.05--0.30 cm/sup -1/ greater than the instrumental resolution (0.18--0.29 cm/sup -1/). The spectra appear to be free of ''multiple site'' and solute aggregate absorptions. Spectra displaying isotropic splitting in bands of natural BCl/sub 3/, SeF/sub 6/, OsO/sub 4/, TiCl/sub 4/, and MoF/sub 6/ are presented, and band frequencies are compared with some results obtained in evaporative matrices, in the gas phase, and in liquid solutions. For this comparison we have obtained some spectra of SeF/sub 6/ and BCl/sub 3/ gas.

  20. Searching for space-time variation of the fine structure constant using QSO spectra: overview and future prospects

    NASA Astrophysics Data System (ADS)

    Berengut, J. C.; Dzuba, V. A.; Flambaum, V. V.; King, J. A.; Kozlov, M. G.; Murphy, M. T.; Webb, J. K.

    2010-11-01

    Current theories that seek to unify gravity with the other fundamental interactions suggest that spatial and temporal variation of fundamental constants is a possibility, or even a necessity, in an expanding Universe. Several studies have tried to probe the values of constants at earlier stages in the evolution of the Universe, using tools such as big-bang nucleosynthesis, the Oklo natural nuclear reactor, quasar absorption spectra, and atomic clocks (see, e.g. Flambaum & Berengut (2009)).

  1. Absorption Features in Soil Spectra Assessment.

    PubMed

    Vašát, Radim; Kodešová, Radka; Borůvka, Luboš; Jakšík, Ondřej; Klement, Aleš; Drábek, Ondřej

    2015-12-01

    From a wide range of techniques appropriate to relate spectra measurements with soil properties, partial least squares (PLS) regression and support vector machines (SVM) are most commonly used. This is due to their predictive power and the availability of software tools. Both represent exclusively statistically based approaches and, as such, benefit from multiple responses of soil material in the spectrum. However, physical-based approaches that focus only on a single spectral feature, such as simple linear regression using selected continuum-removed spectra values as a predictor variable, often provide accurate estimates. Furthermore, if this approach extends to multiple cases by taking into account three basic absorption feature parameters (area, width, and depth) of all occurring features as predictors and subjecting them to best subset selection, one can achieve even higher prediction accuracy compared with PLS regression. Here, we attempt to further extend this approach by adding two additional absorption feature parameters (left and right side area), as they can be important diagnostic markers, too. As a result, we achieved higher prediction accuracy compared with PLS regression and SVM for exchangeable soil pH, slightly higher or comparable for dithionite-citrate and ammonium oxalate extractable Fe and Mn forms, but slightly worse for oxidizable carbon content. Therefore, we suggest incorporating the multiple linear regression approach based on absorption feature parameters into existing working practices. PMID:26555184

  2. 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.

  3. A HIRES Detection of NA I D Absorption in the Spectrum of the QSO PKS 2020-370 Due to the Galaxy Klemola 31A

    NASA Astrophysics Data System (ADS)

    Junkkarinen, V. T.; Barlow, T. A.

    1994-12-01

    By using the Keck telescope and HIRES spectrograph we have detected Na I D absorption lines in the spectrum of the QSO PKS 2020-370 (V = 17.5, z = 1.048) due to the galaxy Klemola 31A (z = 0.0288). The PKS 2020-370 line of sight is near an apparent spiral arm only 20" from the nucleus of Klemola 31A which corresponds to 17 kpc (H_o = 50 km s(-1) Mpc(-1) ). The spectrum of PKS 2020-370 has strong Ca II absorption lines (W_λ ~ 350 m Angstroms \\ for the K line) at the galaxy redshift (Boksenberg et al, 1980, ApJ, 242, L145), but previous attempts to detect Na I have resulted in upper limits (Boisse et al. 1988, A&A, 191, 193, Womble, 1992, thesis UCSD). We observed PKS 2020-370 with HIRES in May 1994 at a resolution of 8 km s(-1) FWHM for a total of 90 minutes. The Na I D doublet is detected with a total W_λ for the Na I 5891.6 Angstroms \\ (vac) absorption line of about 160 m Angstroms . The absorption appears as two main velocity components separated by 23 km s(-1) . The optically thin estimate for N(Na I) = 1.0 times 10(12) cm(-2) gives an estimated N(Ca II)/N(Na I) = 5. This value suggests that the gas in Klemola 31A along the QSO line of sight is ``halo like''. Along ``disk like'' lines of sight where Ca is thought to be depleted onto grains in our Galaxy, the N(Ca II)/N(Na I) ratio is usually small (<= 1). Other QSO--galaxy pairs often show disk like N(Ca II)/N(Na I) ratios when the line of sight intersects starlight at 25 mag per sq. arcsec (Womble, 1992 thesis UCSD). The PKS 2020-370 sightline is near the optical extent of Klemola 31A but the N(Ca II)/N(Na I) is consistent with the sightline passing through two clouds in the halo. This research has been supported in part by NASA NAS5--29293 and NAG5--1630.

  4. Searching for space-time variation of the fine structure constant using QSO spectra: overview and future prospects

    NASA Astrophysics Data System (ADS)

    Berengut, J. C.; Dzuba, V. A.; Flambaum, V. V.; King, J. A.; Kozlov, M. G.; Murphy, M. T.; Webb, J. K.

    Theories unifying gravity with other interactions suggest the possibility of spatial and temporal variation of fundamental ``constants'' in the Universe. Using quasar absorption systems we can probe the value of the fine-structure constant, alpha = e2/hbar c, over the history of the universe. Previous studies of three independent samples of data, containing 143 absorption systems spread from 2 to 10 billion years after big bang, hint that alpha was smaller 7 - 11 billion years ago. However competing studies show no such alpha -variation. The studies can be improved by utilising more atomic transitions that are seen in quasar spectra, however in many cases this is hampered by a lack of accurate laboratory frequency measurements. The aim of this paper is to provide a compilation of transitions of importance to the search for alpha variation. They are E1 transitions from the ground state in several different atoms and ions, with wavelengths ranging from around 900 - 6000 Å, and require an accuracy of better than 10-4 Å. We also discuss isotope shift measurements that are needed in order to resolve systematic effects in the study. Researchers who are interested in performing these measurements should contact the authors directly.

  5. Studies of galaxies giving rise to QSO absorption systems and observations of the high-redshift universe

    NASA Astrophysics Data System (ADS)

    Chen, Hsiao-Wen

    I present a study of the galaxies that give rise to Lyman-α (Lyα) and triply ionized carbon (CIV) absorption lines observed in the spectra of background quasi-stellar objects (QSOs), as well as on studies of the high-redshift universe. By comparing the redshifts of galaxies and Lyα absorption systems along common lines of sight, I confirmed the existence of an anti- correlation between Lyα absorption equivalent width and galaxy impact parameter. Further analysis showed that tenuous gas is likely to be distributed around galaxies in spherical halos rather than in flattened disks with the gaseous extent scaling with galaxy B-band and K-band luminosities. I found that extended gaseous halos are a common and generic feature of galaxies over a wide range of luminosity and morphological type and Lyα absorption systems traced a significant and representative portion of the galaxy population. Applying the scaling relation between galaxy gaseous radius and galaxy B-band luminosity to predict the incidence of Lyα absorption systems originating in extended gaseous envelopes of galaxies, I found that luminous galaxies can explain about 50% of Lyα absorption systems with absorption equivalent width W > 0.3 Å. By comparing the redshifts of galaxies and CIV absorption systems along common lines of sight, I found that extended gaseous halos of galaxies have been metal contaminated out to large galactocentric radii, ~100 h-1 kpc. The covering factor of ionized gas in galactic halos was estimated to be 0.93 with a 1 σ lower bound of 0.83, which may strongly constrain the possibilities that CIV absorption systems arised in accreting satellite galaxies or in filaments of gravitationally collapsed structures. To study the high-redshift universe, I analyzed very deep slitless spectroscopy observations acquired by the Space Telescope Imaging Spectrograph on board the Hubble Space Telescope. These observations are especially suited for identifying very distant galaxies due to

  6. VizieR Online Data Catalog: Absorption spectrum of the QSO PKS2126-158 (D'Odorico+ 1998)

    NASA Astrophysics Data System (ADS)

    D'Odorico, V.; Cristiani, S.; D'Odorico, S.; Fontana, A.; Giallongo, E.

    1997-10-01

    Spectra of the zem=3.268 quasar PKS 2126-158 have been obtai the wavelength range 430-662nm with a resolution R=27000 and an average signal to noise ratio s/n=25 per resolution element. 12 metal absorption systems have been identified, two of which were previously unknown. All the lines shortward of the Lymanα emission not identified as due to metals have been fitted as Lymanα and Lymanβ. We reported statistical analysis of this sample of lines. In particular, the two-point correlation function for metal systems has been computed. (1 data file).

  7. 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.

  8. Absorption spectra of irradiated XRCT radiochromic film

    NASA Astrophysics Data System (ADS)

    Butson, Martin J.; Cheung, Tsang; Yu, Peter K. N.

    2006-06-01

    Gafchromic XRCT radiochromic film is a self-developing high sensitivity radiochromic film product which can be used for assessment of delivered radiation doses which could match applications such as computed tomography (CT) dosimetry. The film automatically changes colour upon irradiation changing from a yellow to green/brown colour. The absorption spectra of Gafchromic XRCT radiochromic film as measured with reflectance spectrophotometry have been investigated to analyse the dosimetry characteristics of the film. Results show two main absorption peaks produced from irradiation located at 636 nm and 585 nm. This is similar to EBT Gafchromic film. A high level of sensitivity is found for this film with a 1 cGy applied dose producing an approximate net optical density change of 0.3 at 636 nm. This high sensitivity combined with its relatively energy independent nature around the 100 kVp to 150 kVp x-ray energy range provides a unique enhancement in dosimetric measurement capabilities over currently available dosimetry films for CT applications.

  9. Determination of phytoplankton composition using absorption spectra.

    PubMed

    Martínez-Guijarro, R; Romero, I; Pachés, M; Del Río, J G; Martí, C M; Gil, G; Ferrer-Riquelme, A; Ferrer, J

    2009-05-15

    Characterisation of phytoplankton communities in aquatic ecosystems is a costly task in terms of time, material and human resources. The general objective of this paper is not to replace microscopic counts but to complement them, by fine-tuning a technique using absorption spectra measurements that reduces the above-mentioned costs. Therefore, the objective proposed in this paper is to assess the possibility of achieving a qualitative determination of phytoplankton communities by classes, and also a quantitative estimation of the number of phytoplankton cells within each of these classes, using spectrophotometric determination. Samples were taken in three areas of the Spanish Mediterranean coast. These areas correspond to estuary systems that are influenced by both continental waters and Mediterranean Sea waters. 139 Samples were taken in 7-8 stations per area, at different depths in each station. In each sample, the absorption spectrum and the phytoplankton classes (Bacyllariophyceae (diatoms), Cryptophyceae, Clorophyceae, Chrysophyceae, Prasynophyceae, Prymnesophyceae, Euglenophyceae, Cyanophyceae, Dynophyceae and the Synechococcus sp.) were determined. Data were analysed by means of the Partial Least Squares (PLS) multivariate statistical technique. The absorbances obtained between 400 and 750 nm were used as the independent variable and the cell/l of each phytoplankton class was used as the dependent variable, thereby obtaining models which relate the absorbance of the sample extract to the phytoplankton present in it. Good results were obtained for diatoms (Bacillarophyceae), Chlorophyceae and Cryptophyceae. PMID:19269434

  10. QSO ABSORPTION SYSTEMS DETECTED IN Ne VIII: HIGH-METALLICITY CLOUDS WITH A LARGE EFFECTIVE CROSS SECTION

    SciTech Connect

    Meiring, J. D.; Tripp, T. M.; Werk, J. K.; Prochaska, J. X.; Howk, J. C.; Jenkins, E. B.; Lehner, N.; Sembach, K. R.

    2013-04-10

    Using high-resolution, high signal-to-noise ultraviolet spectra of the z{sub em} = 0.9754 quasar PG1148+549 obtained with the Cosmic Origins Spectrograph (COS) on the Hubble Space Telescope, we study the physical conditions and abundances of Ne VIII+O VI absorption line systems at z{sub abs} = 0.68381, 0.70152, 0.72478. In addition to Ne VIII and O VI, absorption lines from multiple ionization stages of oxygen (O II, O III, O IV) are detected and are well aligned with the more highly ionized species. We show that these absorbers are multiphase systems including hot gas (T Almost-Equal-To 10{sup 5.7} K) that produces Ne VIII and O VI, and the gas metallicity of the cool phase ranges from Z = 0.3 Z{sub Sun} to supersolar. The cool ( Almost-Equal-To 10{sup 4} K) phases have densities n{sub H} Almost-Equal-To 10{sup -4} cm{sup -3} and small sizes (<4 kpc); these cool clouds are likely to expand and dissipate, and the Ne VIII may be within a transition layer between the cool gas and a surrounding, much hotter medium. The Ne VIII redshift density, dN/dz{approx}7{sup +7}{sub -3}, requires a large number of these clouds for every L > 0.1 L* galaxy and a large effective absorption cross section ({approx}> 100 kpc), and indeed, we find a star-forming {approx}L {sup *} galaxy at the redshift of the z{sub abs} = 0.72478 system, at an impact parameter of 217 kpc. Multiphase absorbers like these Ne VIII systems are likely to be an important reservoir of baryons and metals in the circumgalactic media of galaxies.

  11. X-Ray Absorption Spectra of Uranium by Synchrotron Radiation

    NASA Astrophysics Data System (ADS)

    Adachi, Hirohiko; Fujima, Kazumi; Taniguchi, Kazuo; Miyake, Chie; Imoto, Shosuke

    1981-08-01

    The X-ray absorption spectra of U, UO2 and UCl4 near the U OIV and OV thresholds have been measured by use of synchrotron radiation. The absorption peaks at about 100 eV and 110 eV are observed for all of these materials. However, the detailed structure of the spectra depend on the chemical state.

  12. The absorption spectrum of the QSO PKS 2126-158 (z_em =3.27) at high resolution

    NASA Astrophysics Data System (ADS)

    D'Odorico, V.; Cristiani, S.; D'Odorico, S.; Fontana, A.; Giallongo, E.

    1998-01-01

    Spectra of the z_em = 3.268 quasar PKS 2126-158 have been obtained in the range lambda lambda 4300-6620 Angstroms with a resolution Rsmallimeq27000 and an average signal-to-noise ratio s/nsmallimeq 25 per resolution element. The list of the identified absorption lines is given together with their fitted column densities and Doppler widths. The modal value of the Doppler parameter distribution for the Lyalpha lines is smallimeq 25 km s(-1) . The column density distribution can be described by a power-law dn / dN ~ N(-beta ) with beta smallimeq 1.5. 12 metal systems have been identified, two of which were previously unknown. In order to make the column densities of the intervening systems compatible with realistic assumptions about the cloud sizes and the silicon to carbon overabundance, it is necessary to assume a jump beyond the He II edge in the spectrum of the UV ionizing background at z smallim 3 a factor 10 larger than the standard predictions for the integrated quasar contribution. An enlarged sample of C IV absorptions (71 doublets) has been used to analyze the statistical properties of this class of absorbers strictly related to galaxies. The column density distribution is well described by a single power-law, with beta =1.64 and the Doppler parameter distribution shows a modal value b_CIV smallimeq 14 km s(-1) . The two point correlation function has been computed in the velocity space for the individual components of C IV features. A significant signal is obtained for scales smaller than 200- 300 km s(-1) , xi (30< Delta v < 90 km\\ s(-1) ) = 33 +/- 3. A trend of decreasing clustering amplitude with decreasing column density is apparent, analogously to what has been observed for Lyalpha lines. Based on observations collected at the European Southern Observatory, La Silla, Chile (ESO No. 2-013-49K). Table 2 is only available in electronic from via anonymous ftp 130.79.128.5 or http://cdsweb.u-strasbg.fr/Abstract.html

  13. Analysis of molecular hydrogen absorption toward QSO B0642–5038 for a varying proton-to-electron mass ratio

    SciTech Connect

    Bagdonaite, J.; Ubachs, W.; Murphy, M. T.; Whitmore, J. B.

    2014-02-10

    Rovibronic molecular hydrogen (H{sub 2}) transitions at redshift z {sub abs} ≅ 2.659 toward the background quasar B0642–5038 are examined for a possible cosmological variation in the proton-to-electron mass ratio μ. We utilize an archival spectrum from the Very Large Telescope/Ultraviolet and Visual Echelle Spectrograph (UVES) with a signal-to-noise ratio of ∼35 per 2.5 km s{sup –1} pixel at the observed H{sub 2} wavelengths (335-410 nm). Some 111 H{sub 2} transitions in the Lyman and Werner bands have been identified in the damped Lyα system for which a kinetic gas temperature of ∼84 K and a molecular fraction log f = –2.18 ± 0.08 are determined. The H{sub 2} absorption lines are included in a comprehensive fitting method, which allows us to extract a constraint on a variation of the proton-electron mass ratio Δμ/μ from all transitions at once. We obtain Δμ/μ = (17.1 ± 4.5{sub stat} ± 3.7{sub sys}) × 10{sup –6}. However, we find evidence that this measurement has been affected by wavelength miscalibration errors recently identified in UVES. A correction based on observations of objects with solar-like spectra gives a smaller Δμ/μ value and contributes to a larger systematic uncertainty: Δμ/μ = (12.7 ± 4.5{sub stat} ± 4.2{sub sys}) × 10{sup –6}.

  14. Cosmic Metallicity from ZnII-Selected QSO Absorption Line Systems Near Redshift z=1.2

    NASA Astrophysics Data System (ADS)

    Monier, Eric

    2010-09-01

    We have searched nearly 15,000 strong intervening MgII systems in SDSS quasar spectra to measure spectral regions where weak, unsaturated metal lines are predicted to exist, with the aim of finding a representative sample of the strongest metal-line column density systems in the universe. These systems are clearly damped Lyman-alpha {DLA} systems, which track cosmologically intervening neutral gas regions that fall along the sightlines to background quasars. We propose STIS G230L spectroscopy of seven strong-ZnII-selected systems from this sample in order to measure their Lyman-alpha absorption profiles and derive their HI column densities. Since Zn is not depleted onto grains, measurement of N{HI} allows a direct measurement of the metal abundance in such systems. We expect the results to be representative of the upper envelope of the distribution of neutral-gas-phase metallicities near redshift z=1.2. If these systems are high-N{HI} DLAs {e.g., 6E21 atoms/cm^2} they will have metallicities typical of those normally found in DLAs {e.g., one-tenth solar}. However, if they are low-N{HI} DLAs {e.g., 2E20 atoms/cm(2) }, they will have supersolar metallicities. Since these DLAs are selected on the basis of their extreme metal-line properties, analysis of their metallicities and dust-to-gas ratios will lead to strong constraints on the range of properties exhibited by DLA systems.

  15. Absorption Spectra of Magnesium Sulphite Hexahydrate Doped with Nickel

    NASA Astrophysics Data System (ADS)

    Petkova, Petya N.; Bunzarov, Zhelyu I.; Iliev, Ilia A.; Dimov, Todor N.

    2007-04-01

    In the work are presented absorption spectra of MgSO3.6H2O monocrystals doped with Ni. The spectra are measured in a wide spectral range (200 - 1200nm) at room temperature with polarized light. The impurity of Ni changes essentially the absorption of MgSO3.6H2O because it causes the appearance of additional spectral structures.

  16. 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.

  17. Optical Absorption Spectra of Sodium Borate Cobalt Doped Glasses

    SciTech Connect

    Elokr, M. M.; Hassan, M. A.; Yaseen, A. M.; Elokr, R.

    2007-02-14

    Glassy system: xNa2O-(100-x-y)B2O3-yCo3O4 has been prepared by conventional melt quenching technique. Optical absorption spectra have been obtained in the range 300 - 2500 nm at room temperature. An absorption edge was observed in the near UV range, the analysis of which reveals that indirect transition is the dominant absorption mechanism. All prepared samples exhibit blue color, indicating that the Co ions are acted upon by tetrahedral ligand field. Obtained spectra were used to estimate some ligand field parameters.

  18. 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. PMID:26476072

  19. Ultraviolet absorption spectra of mercuric halides.

    NASA Technical Reports Server (NTRS)

    Templet, P.; Mcdonald, J. R.; Mcglynn, S. P.; Kendrow, C. H.; Roebber, J. L.; Weiss, K.

    1972-01-01

    The gas phase transitions of the mercuric halides were observed in the UV region by operating at temperatures above 400 K and at vapor pressures on the order of 0.5 mm. Spectral features exhibited by the chloride, bromide, and iodide of mercury correlate energetically with bands previously designated as intermolecular charge transfer transitions. The solution spectra of mercuric iodide and deep color of the crystals (if not due to some solid state interactions) indicate that this molecule may also have longer wavelength transitions.

  20. Probing molecular chirality by coherent optical absorption spectra

    SciTech Connect

    Jia, W. Z.; Wei, L. F.

    2011-11-15

    We propose an approach to sensitively probe the chirality of molecules by measuring their coherent optical-absorption spectra. It is shown that quantum dynamics of the cyclic three-level chiral molecules driven by appropriately designed external fields is total-phase dependent. This will result in chirality-dependent absorption spectra for the probe field. As a consequence, the charality-dependent information in the spectra (such as the locations and relative heights of the characteristic absorption peaks) can be utilized to identify molecular chirality and determinate enantiomer excess (i.e., the percentages of different enantiomers). The feasibility of the proposal with chiral molecules confined in hollow-core photonic crystal fiber is also discussed.

  1. 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.

  2. 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.

  3. 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…

  4. The OH - absorption spectra of low doped lithium niobate crystals

    NASA Astrophysics Data System (ADS)

    Kong, Yongfa; Zhang, Wanlin; Xu, Jingjun; Yan, Wenbo; Liu, Hongde; Xie, Xiang; Li, Xiaochun; Shi, Lihong; Zhang, Guangyin

    2004-07-01

    The OH - absorption spectra of low doped lithium niobate (LiNbO 3) crystals have been investigated. Though no apparent band shift is observed in these absorption spectra, their shapes are quite different. In order to analyze the information on the defect structure underlying these OH - absorption bands, the normalization and difference methods were employed. It was found that although the doping concentrations are under the thresholds the doping ions have apparent affect to the site occupation of OH - ions. The OH - vibrations related to Mg Li+ (Mg 2+ occupying Li-site) and In Li2+ are 3483 and 3484 cm -1 in LiNbO 3:Mg and LiNbO 3:In crystals, respectively. The absorption peak of LiNbO 3:Ti (2.5 mol%) crystal at 3487 cm -1 is mainly related to Ti Li3+-OH - and the 3489 cm -1 peak of LiNbO 3:Mg (5.0 mol%), Ti (10.0 mol%) related to Mg Li+-OH -, Ti Nb--OH - and Ti Li3+-OH -. Doping with Na improves the peak intensity near 3466 cm -1 and induces a new absorption peak at 3470 cm -1. The absorption bands of LiNbO 3 crystals codoped with trivalent ions are associated with the co-effect of the doped ions and have some different characteristics from mono-doped crystals.

  5. 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.

  6. 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.

  7. Theoretical investigations of absorption and fluorescence spectra of protonated pyrene.

    PubMed

    Chin, Chih-Hao; Lin, Sheng Hsien

    2016-05-25

    The equilibrium geometry and 75 vibrational normal-mode frequencies of the ground and first excited states of protonated pyrene isomers were calculated and characterized in the adiabatic representation by using the complete active space self-consistent field (CASSCF) method. Electronic absorption spectra of solid neon matrixes in the wavelength range 495-415 nm were determined by Maier et al. and they were analyzed using time-dependent density functional theory calculations (TDDFT). CASSCF calculations and absorption and emission spectra simulations by one-photon excitation equations were used to optimize the excited and ground state structures of protonated pyrene isomers. The absorption band was attributed to the S0 → S1 electronic transition in 1H-Py(+), and a band origin was used at 20580.96 cm(-1). The displaced harmonic oscillator approximation and Franck-Condon approximation were used to simulate the absorption spectrum of the (1) (1)A' ← X[combining tilde](1)A' transition of 1H-Py(+), and the main vibronic transitions were assigned for the first ππ* state. It shows that the vibronic structures were dominated by one of the eight active totally symmetric modes, with ν15 being the most crucial. This indicates that the electronic transition of the S1((1)A') state calculated in the adiabatic representation effectively includes a contribution from the adiabatic vibronic coupling through Franck-Condon factors perturbed by harmonic oscillators. The present method can adequately reproduce experimental absorption and fluorescence spectra of a gas phase. PMID:27181017

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. X-Ray Spectrum of a Narrow-Line QSO

    NASA Technical Reports Server (NTRS)

    Halpern, Jules P.

    1998-01-01

    During the reporting period, seven papers using ASCA data, supported in whole or in part by this grant, were published or submitted to refereed journals. Their abstracts are given in this report, and the complete bibliographic references are listed in the Appendix. Titles include (1) A Broad-Band X-ray Study of the Geminga Pulsar; (2) ASCA Observations of PSR 1920+10 and PSR 0950+08; (3) X-ray and Optical Spectroscopy of IRAS 20181-2244: Not a Type 2 QSO, but a I Zw I Object; (4) Models for X-ray Emission from Isolated Pulsars; (5) Optical and X-ray Spectroscopy of 1E 0449.4-1823: Demise of the Original Type 2 QSO; (6) The ASCA Spectrum of the Broad-Line Radio Galaxy Pictor A: A Simple Power Law with No Fe Ka Line; and (7) ASCA Spectra of NGC 4388 and ESO 103-G35: Absorption, Reflection, and Variability in Intermediate Type Seyfert Galaxies.

  13. A REFINED QSO SELECTION METHOD USING DIAGNOSTICS TESTS: 663 QSO CANDIDATES IN THE LARGE MAGELLANIC CLOUD

    SciTech Connect

    Kim, Dae-Won; Protopapas, Pavlos; Trichas, Markos; Alcock, Charles; Rowan-Robinson, Michael; Khardon, Roni; Byun, Yong-Ik

    2012-03-10

    We present 663 QSO candidates in the Large Magellanic Cloud (LMC) selected using multiple diagnostics. We started with a set of 2566 QSO candidates selected using the methodology presented in our previous work based on time variability of the MACHO LMC light curves. We then obtained additional information for the candidates by crossmatching them with the Spitzer SAGE, the Two Micron All Sky Survey, the Chandra, the XMM, and an LMC UBVI catalog. Using this information, we specified six diagnostic features based on mid-IR colors, photometric redshifts using spectral energy distribution template fitting, and X-ray luminosities in order to further discriminate high-confidence QSO candidates in the absence of spectra information. We then trained a one-class Support Vector Machine model using the diagnostics features of the confirmed 58 MACHO QSOs. We applied the trained model to the original candidates and finally selected 663 high-confidence QSO candidates. Furthermore, we crossmatched these 663 QSO candidates with the newly confirmed 151 QSOs and 275 non-QSOs in the LMC fields. On the basis of the counterpart analysis, we found that the false positive rate is less than 1%.

  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. The x-ray absorption spectra of water and ice

    NASA Astrophysics Data System (ADS)

    Kong, Lingzhu; Wu, Xifan; Car, Roberto

    2012-02-01

    We calculate the x-ray absorption spectra of liquid water at STP, hexagonal ice and amorphous low- and high-density ice at T=269K, using the static Coulomb-hole and screened exchange self energy approach ootnotetextW. Chen, X. Wu and R. Car, PRL 105, 017802 (2008) . We take the nuclear quantum effects into account by averaging over the Feynman path-integral replicas. We find that quantum disorder is particularly important in liquid water where it substantially improves the structure ootnotetextJ. Morrone and R. Car, PRL 101, 017801 (2008) Compared to Ref. 2, we use an improved screening model that includes the approximate local field correction ootnotetextM. Hybertsen and S. G. Louie, PRB 37, 2733 (1988). The resulting spectra are in significantly better agreement with experiments than in previous calculations.

  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. NOTE: Visible absorption spectra of radiation exposed SIRAD dosimeters

    NASA Astrophysics Data System (ADS)

    Butson, Martin J.; Cheung, Tsang; Yu, Peter K. N.

    2006-12-01

    SIRAD badge dosimeters are a new type of personal dosimeter designed to measure radiation exposure up to 200 R and give a visual qualitative measurement of exposure. This is performed using the active dosimeter window, which contains a radiochromic material amalgamated in the badge assembly. When irradiated, the badges active window turns blue, which can be matched against the given colour chart for a qualitative assessment of the exposure received. Measurements have been performed to analyse the absorption spectra of the active window, and results show that the window automatically turns a blue colour upon irradiation and produces two peaks in the absorption spectra located at 617 nm and 567 nm. When analysed with a common computer desktop scanner, the optical density response of the film to radiation exposure is non-linear but reproducible. The net OD of the film was 0.21 at 50 R exposure and 0.31 at 200 R exposure when irradiated with a 6 MV x-ray energy beam. When compared to the calibration colour strips at 6 MV x-ray energy the film's OD response matches relatively well within 3.5%. An approximate 8% reduction in measured OD to exposure was seen for 250 kVp x-rays compared to 6 MV x-rays. The film provides an adequate measurement and visually qualitative assessment of radiation exposure for levels in the range of 0 to 200 R.

  18. Hubble Space Telescope faint object spectrograph Quasar Absorption System Snapshot Survey (AbSnap). 1: Astrometric optical positions and finding charts of 269 bright QSO

    NASA Technical Reports Server (NTRS)

    Bowen, David V.; Osmer, Samantha J.; Blades, J. Chris; Tytler, David; Cottrell, Lance; Fan, Xiao-Ming; Lanzetta, Kenneth M.

    1994-01-01

    We present finding charts and optical positions accurate to less than 1 arcsec for 269 bright (V less than or = 18.5) Quasi-Stellar Objects (QSOs). These objects were selected as candidates for the Hubble Space Telescope (HST) Quasar Absorption System Snapshot Survey (AbSnap), a program designed to use the Faint Object Spectrograph (FOS) to obtain short exposure ultraviolet (UV) spectra of bright QSOs. Many quasars were included because of their proximity to bright, low redshift galaxies and positions of these QSOs are measured accurately for the first time. Data were obtained using the digitized sky survey produced by the Space Telescope Science Institute's Guide Stars Selection System Astrometric Support Program.

  19. 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.

  20. 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.

  1. A Parallel Iterative Method for Computing Molecular Absorption Spectra.

    PubMed

    Koval, Peter; Foerster, Dietrich; Coulaud, Olivier

    2010-09-14

    We describe a fast parallel iterative method for computing molecular absorption spectra within TDDFT linear response and using the LCAO method. We use a local basis of "dominant products" to parametrize the space of orbital products that occur in the LCAO approach. In this basis, the dynamic polarizability is computed iteratively within an appropriate Krylov subspace. The iterative procedure uses a matrix-free GMRES method to determine the (interacting) density response. The resulting code is about 1 order of magnitude faster than our previous full-matrix method. This acceleration makes the speed of our TDDFT code comparable with codes based on Casida's equation. The implementation of our method uses hybrid MPI and OpenMP parallelization in which load balancing and memory access are optimized. To validate our approach and to establish benchmarks, we compute spectra of large molecules on various types of parallel machines. The methods developed here are fairly general, and we believe they will find useful applications in molecular physics/chemistry, even for problems that are beyond TDDFT, such as organic semiconductors, particularly in photovoltaics. PMID:26616067

  2. 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.

  3. Molecular structures and absorption spectra assignment of corrole NH tautomers.

    PubMed

    Beenken, Wichard; Presselt, Martin; Ngo, Thien H; Dehaen, Wim; Maes, Wouter; Kruk, Mikalai

    2014-02-01

    The individual absorption spectra of the two NH tautomers of 10-(4,6-dichloropyrimidin-5-yl)-5,15-dimesitylcorrole are assigned on the basis of the Gouterman four-orbital model and a quantum chemical TD-DFT study. The assignment indicates that the red-shifted T1 tautomer is the one with protonated pyrrole nitrogen atoms N(21), N(22) and N(23), whereas the blue-shifted T2 tautomer has pyrrole nitrogen atoms N(21), N(22) and N(24) protonated. A wave-like nonplanar distortion of the macrocycle in the ground state is found for both NH tautomers, with the wave axis going through the pyrroles containing N(22) and N(24). The 7C plane determined by the least-squares distances to the carbon atoms C1, C4, C5, C6, C9, C16, and C19 is suggested as a mean corrole macrocycle plane for the analysis of out-of-plane distortions. The magnitude of these distortions is distinctly different for the two NH tautomers, leading to substantial perturbations of their acid-base properties, which are rationalized by the interplay of the degree of out-of-plane distortion of the macrocycle as a whole and the tendency of the pyrrole nitrogen atoms toward pyramidalization, with the former leading to a basicity increase whereas the latter enhances the acidity. PMID:24432802

  4. Quasar Ton 34 with steepest far-UV break known has entered new bal QSO phase

    NASA Astrophysics Data System (ADS)

    Binette, Luc

    2011-10-01

    Using HST-COS/G140L and HST-STIS with G230L and G430L, we request 4 orbits to observe the QSO Ton34 {z=1.928}. Among archive HST/FOS spectra, Ton34 shows an unusually steep FUV drop, equivalent to a powerlaw of index -5. At shorter wavelengths, only an extremely noisy IUE spectra exists. The FUV observations would provide us with a unique window to test whether Ton34 remains EUV deficient at shorter wavelengths or shows instead the onset of a second peak in the extreme {E}UV, explaining how photoionization can still account for its high excitation emission lines of CIV, OVIA? With the STIS MAMA-NUV spectrum, we will also study and confirm whether low excitation EUV BLR lines such as the permitted lines of OII + OIII {835A?} or NIII {686A?} are present and as strong as reported from an earlier but noisy IUE spectrum {this would possibly favor shock excitation}. Using archive optical spectra near the CIV region {from years 1988 and 2006}, we recently showed that Ton34 is currently undergoing a strong BalQSO phase, the first case reported among bright quasars. A priority of the proposed STIS NUV observations will be to look for the presence of blueshifted absorption troughs near Ly-alpha or OIV {as well as any change in the continuum's sharp break} using the STIS/G430L spectrum.

  5. The Chemical Evolution of QSO Absorbers

    NASA Astrophysics Data System (ADS)

    Ellison, Sara L.

    2000-06-01

    The chemical evolution of the high redshift intergalactic and interstellar media of galaxies is studied using QSO absorption lines. The redshift evolution of damped Lyman alpha (DLA) system metallicity is studied down to z=0.5, and no significant increase in metals is found. The CIV/HI ratio in the Lyman alpha forest is investigated at z approximately 3 and traces of are metals found in the low density HI gas with optical depth of around 1. Finally, a new survey for DLAs in a radio-selected sample of QSOs is presented, with the aim of determining whether a significant dust bias may have affected previous surveys.

  6. The structure of the BAL QSO 1700 + 518

    NASA Technical Reports Server (NTRS)

    Hutchings, J. B.; Neff, S. G.; Gower, A. C.

    1992-01-01

    The paper presents 0.5-arcsec-resolution optical images of the low-redshift, bright, broad-absorption-line QSO 1700 + 518. A bright arc 2 arcsec is found to the NE of the nucleus which is redder than the surrounding host galaxy. There is also a faint radial structure to the SE, which is aligned with the core radio structure. The principal radio structure is a slightly resolved component coincident with the optical nucleus and an unresolved lobe 1 arcsec to the W which has no corresponding optical structure. The morphological and other properties of the QSO are discussed.

  7. Photon interference effect in x-ray absorption spectra over a wide energy range

    NASA Astrophysics Data System (ADS)

    Nishino, Y.; Ishikawa, T.; Suzuki, M.; Kawamura, N.; Kappen, P.; Korecki, P.; Haack, N.; Materlik, G.

    2002-09-01

    We consider fundamental structures in x-ray absorption spectra over a wide energy range. We formulate the elastic scattering in addition to the photoelectric absorption in recently reported photon interference x-ray absorption fine structure (πXAFS). The simulations show excellent agreement with experimental x-ray absorption spectra for platinum and tungsten powders far above and below the L absorption edges. πXAFS can be as big as in the order of 10% of XAFS, and cannot be easily neglected in detailed analysis of XAFS and related phenomena.

  8. Interpretation of NO2 absorption in twilight sky spectra

    NASA Astrophysics Data System (ADS)

    McMahon, B. B.

    1984-07-01

    A multiple scattering model has been developed to calculate nitrogen dioxide (NO2) absorption in the light from the zenith sky during twilight. Model studies show that this absorption is not very sensitive to the atmospheric temperature profile or to tropospheric NO2. The model was used to interpret some ground-based measurements of NO2 sky absorption. Values for the total stratospheric column amount vary from 2 to 12 x 10 to the 15th molec/sq cm, and the mean altitude of the stratospheric concentration profile is around 35 km. These observations are in broad agreement with those of other workers.

  9. Absorption spectra of graphene nanoribbons in a composite magnetic field

    NASA Astrophysics Data System (ADS)

    Li, T. S.; Wu, M. F.; Hsieh, C. T.

    2015-10-01

    The low-frequency optical absorption properties of graphene nanoribbons in a composite magnetic field are investigated by using the gradient approximation. The spectral function exhibits symmetric delta-function like prominent peaks structure in a uniform magnetic field, and changes to asymmetric square-root divergent peaks structure when subjecting to a composite field. These asymmetric divergent peaks can be further classified into principal and secondary peaks. The spectral intensity and frequency of the absorption peaks depend sensitively on the strength and modulation period of the composite field. The transition channels of the absorption peaks are also analyzed. There exists an optical selection rule which is caused by the orthogonal properties of the sublattice wave functions. The evolution of the spectral frequency of the absorption peaks with the field strength is explored.

  10. 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.

  11. Effects of lowly ionized ions on silicon K-shell absorption spectra

    NASA Astrophysics Data System (ADS)

    Wei, H. G.; Shi, J. R.; Liang, G. Y.; Wang, F. L.; Zhong, J. Y.; Zhao, G.

    2016-05-01

    Context. In both astrophysical and laboratory plasmas, K-shell absorption spectra have become powerful diagnostic tools to investigate electron density and temperature. These spectra are also widely used to verify the opacity codes in laboratory settings. Aims: We report the effects of the low ionization silicon ions, namely from Si I to Si V, which have rarely been considered in previous models, on the K-shell silicon absorption spectra. Methods: The Si K-shell atomic data were calculated with the flexible atomic code, which is a fully relativistic atomic program with configuration interaction taken into consideration. Detailed level accounting models were employed to calculate the absorption spectra. Results: We calculate the Si absorption spectra in local thermodynamic equilibrium conditions with temperature and density ranges of 20-70 eV and ~1020 cm-3 to ~1022 cm-3, respectively, and show the contributions of the lowly ionized ions to the K-shell absorption spectra of silicon. We also investigate the effects of the different atomic data on the absorption spectra. We find good agreement between our results and these from OPLIB. Conclusions: We find that the contributions from these lowly ionized ions cannot be neglected at relative low temperatures. Accurate experimental measurements are needed to benchmark the theoretical calculations.

  12. New insights on the QSO radio-loud/radio-quiet dichotomy: SDSS spectra in the context of the 4D eigenvector1 parameter space

    NASA Astrophysics Data System (ADS)

    Zamfir, S.; Sulentic, J. W.; Marziani, P.

    2008-06-01

    We search for a dichotomy/bimodality between radio-loud (RL) and radio-quiet (RQ) type 1 active galactic nuclei (AGN). We examine several samples of Slogan Digital Sky Survey (SDSS) quasi-stellar objects (QSOs) with high signal-to-noise ratio optical spectra and matching Faint Images of the Radio Sky at Twenty-cm/NRAO VLA Sky Survey (FIRST/NVSS) radio observations. We use the radio data to identify the weakest RL sources with a Fanaroff-Riley type II (FRII) structure to define a RL/RQ boundary which corresponds to log L1.4GHz = 31.6 ergs-1 Hz-1. We measure the properties of broad-line Hβ and FeII emission to define the optical plane of a 4DE1 spectroscopic diagnostic space. The RL quasars occupy a much more restricted domain in this optical plane compared to the RQ sources, which a 2D Kolmogorov-Smirnov test finds to be highly significant. This tells us that the range of broad-line region kinematics and structure for RL sources is more restricted than for the RQ QSOs, which supports the notion of dichotomy. FRII and CD RL sources also show significant 4DE1 domain differences that likely reflect differences in line-of-sight orientation (inclined versus face-on, respectively) for these two classes. The possibility of a distinct radio-intermediate (RI) population between RQ and RL source is disfavoured because a 4DE1 diagnostic space comparison shows no difference between RI and RQ sources. We show that searches for dichotomy in radio versus bolometric luminosity diagrams will yield ambiguous results mainly because in a reasonably complete sample, the radio brightest RQ sources will be numerous enough to blur the gap between RQ and RL sources. Within resolution constraints of NVSS and FIRST, we find no FRI sources among the broad-line quasar population.

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

    NASA Astrophysics Data System (ADS)

    Grante, Ilze; Actins, Andris; Orola, Liana

    2014-08-01

    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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. Vibronic Structures in Absorption and Fluorescence Spectra of Firefly Oxyluciferin in Aqueous Solutions.

    PubMed

    Hiyama, Miyabi; Noguchi, Yoshifumi; Akiyama, Hidefumi; Yamada, Kenta; Koga, Nobuaki

    2015-01-01

    To elucidate the factors determining the spectral shapes and widths of the absorption and fluorescence spectra for keto and enol oxyluciferin and their conjugate bases in aqueous solutions, the intensities of vibronic transitions between their ground and first electronic excited states were calculated for the first time via estimation of the vibrational Franck-Condon factors. The major normal modes, overtones and combination tones in absorption and fluorescence spectra are similar for all species. The theoretical full widths at half maximum of absorption spectra are 0.4-0.7 eV and those for the fluorescence spectra are 0.4-0.5 eV, except for phenolate-keto that exhibits exceptionally sharp peak widths due to the dominance of the 0-0' or 0'-0 band. These spectral shapes and widths explain many relevant features of the experimentally observed spectra. PMID:25946599

  19. Infrared absorption spectra of methylidene radicals in solid neon.

    PubMed

    Lu, Hsiao-Chi; Lo, Jen-Iu; Lin, Meng-Yeh; Peng, Yu-Chain; Chou, Sheng-Lung; Cheng, Bing-Ming; Ogilvie, J F

    2014-07-28

    Infrared absorption lines of methylidene--(12)C(1)H, (13)C(1)H, and (12)C(2)H--dispersed in solid neon at 3 K, recorded after photolysis of methane precursors with vacuum-ultraviolet light at 121.6 nm, serve as signatures of these trapped radicals. PMID:24912563

  20. MISALIGNMENT OF THE JET AND THE NORMAL TO THE DUSTY TORUS IN THE BROAD ABSORPTION LINE QSO FIRST J155633.8+351758

    SciTech Connect

    Reynolds, Cormac; Punsly, Brian; O'Dea, Christopher P. E-mail: brian.punsly@comdev-usa.com

    2013-08-10

    We performed Very Long Baseline Array observations of the broad absorption line quasar FIRST J155633.8+351758, ''the first radio loud BALQSO''. Our observations at 15.3 GHz partially resolved a secondary component at position angle (P.A.) Almost-Equal-To 35 Degree-Sign . We combine this determination of the radio jet projection on the sky plane, with the constraint that the jet is viewed within 14. Degree-Sign 3 of the line of sight (as implied by the high variability brightness temperature) and with the P.A. of the optical/UV continuum polarization in order to study the quasar geometry. Within the context of the standard model, the data indicates a ''dusty torus'' (scattering surface) with a symmetry axis tilted relative to the accretion disk normal and a polar broad absorption line outflow aligned with the accretion disk normal. We compare this geometry to that indicated by the higher resolution radio data, brightness temperature, and optical/UV continuum polarization P.A. of a similar high optical polarization BALQSO, Mrk 231. A qualitatively similar geometry is found in these two polar BALQSOs; the continuum polarization is determined primarily by the tilt of the dusty torus.

  1. 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.

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

    Technology Transfer Automated Retrieval System (TEKTRAN)

    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...

  3. Data processing of absorption spectra from photoionized plasma experiments at Za)

    NASA Astrophysics Data System (ADS)

    Hall, I. M.; Durmaz, T.; Mancini, R. C.; Bailey, J. E.; Rochau, G. A.

    2010-10-01

    We discuss the processing of x-ray absorption spectra from photoionized plasma experiments at Z. The data was recorded with an imaging spectrometer equipped with two elliptically bent potassium acid phthalate (KAP) crystals. Both time-integrated and time-resolved data were recorded. In both cases, the goal is to obtain the transmission spectra for quantitative analysis of plasma conditions.

  4. Determining neutrino absorption spectra at ultra-high energies

    SciTech Connect

    Scholten, O; Van Vliet, A R E-mail: A.R.van.Vliet@student.rug.nl

    2008-06-15

    A very efficient method for measuring the flux of ultra-high energy (UHE) neutrinos is through the detection of radio waves which are emitted by the particle shower in the lunar regolith. The highest acceptance is reached for radio waves in the frequency band of 100-200 MHz which can be measured with modern radio telescopes. In this work we investigate the sensitivity of this detection method to structures in the UHE neutrino spectrum caused by their absorption on the low energy relic anti-neutrino background through the Z boson resonance. The position of the absorption peak is sensitive to the neutrino mass and the redshift of the source. A new generation of low frequency digital radio telescopes will provide excellent detection capabilities for measuring these radio pulses, thus making our consideration here very timely.

  5. 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.

  6. Electronic absorption spectra of some arylidene pyrazolone derivatives

    NASA Astrophysics Data System (ADS)

    Mahmoud, M. R.; El-Kashef, H. S.; El-Hamide, R. Abd

    The u.v. and visible spectra of some 1 - phenyl - 3 - methyl - 4 - arylidene - 2 - pyrazolin - 5 - one derivatives are investigated in pure and mixed organic solvents as well as in aqueous buffer solutions. Electronic transitions have been identified as either locally excited or predominantly charge transfer states. Moreover, the spectra of the hydroxy derivatives in proton acceptor solvents (DMF, DMSO, ethanol) are characterized by an extra band located at longer wavelengths, which is ascribed to an intermolecular CT transition. This involves an electron transfer from the lone pair of electrons of the oxygen atom of the solvent molecules (ψ ol) to the antibonding orbital of the substituent OH group. The spectral shifts are discussed in terms of medium effects and in relation to molecular structure. The variation of absorbance with pH is utilized for the determination of p K a for the dimethylamino and hydroxy derivatives.

  7. 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.

  8. 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.

  9. 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.

  10. Influence of electric fields on absorption spectra of AAB-stacked trilayer graphene

    NASA Astrophysics Data System (ADS)

    Chiu, Chih-Wei; Chen, Rong-Bin

    2016-06-01

    The tight-binding model and gradient approximation are, respectively, used to calculate the band structures and the absorption spectra of AAB-stacked trilayer graphene (AAB-TLG). AAB stacking, the lowest symmetric geometric structure in trilayer systems, induces the most atomic interactions, and thus, complicates the energy dispersions and the joint density of states. AAB stacking enriches the optical absorption spectra [A(ω)], which dictate the characteristics of the electronic structure. A(ω) are changed by the static electric field, such as the intensity, frequency, and number of absorption structures. These results contrast sharply with those for TLG in other stacking configurations.

  11. Polarized absorption spectra of (2,2) carbon nanotubes aligned in channels of an AEL crystal

    NASA Astrophysics Data System (ADS)

    Chen, Yanping; Zhai, Jianpang; Li, Irene Ling; Ruan, Shuangchen; Tang, Zikang

    2015-11-01

    We report polarized absorption spectra for the (2,2) tubes arrayed in the one-dimensional channels of an AlPO4-11 (AEL) single crystal. Strong polarization dependence is observed indicating a preferential optical dipole along the axis of carbon nanotubes. By correlating with the absorption spectra and First-principles local density function (LDA) calculation, the absorption peak at 2.95 eV is uniquely assigned to semiconducting type (2,2) tubes, and peaks at 2.67 and 2.40 eV are corresponding to metallic type (2,2) tubes.

  12. Infrared absorption spectra of pure and doped YAl3(BO3)4 single crystals

    NASA Astrophysics Data System (ADS)

    Kovács, L.; Mazzera, M.; Beregi, E.; Capelletti, R.

    2009-02-01

    Several weak absorption bands have been observed in the optical absorption spectra of pure and rare-earth-doped YAl3(BO3)4 single crystals in the 3350- 3650 cm-1 wave number region. Two of them, peaking at about 3377 cm-1 and 3580 cm-1 in the 8 K spectra, appear in most of the samples. They are tentatively attributed to the stretching mode of OH- ions incorporated in the crystal during the growth. An additional absorption band at about 5250 cm-1 at 8 K has also been detected in almost all samples. The temperature and polarization dependences of these bands, and their possible origin, are discussed.

  13. Artifacts in Absorption Measurements of Organometal Halide Perovskite Materials: What Are the Real Spectra?

    PubMed

    Tian, Yuxi; Scheblykin, Ivan G

    2015-09-01

    Organometal halide (OMH) perovskites have attracted lots of attention over the last several years due to their very promising performance as the materials for solar cells and light-emitting devices. Photophysical processes in these hybrid organic-inorganic semiconductors are still heavily debated. To know precise absorption spectra is absolutely necessary for quantitative understanding of the fundamental properties of OMH perovskites. We show that to measure the absorption of perovskite materials correctly is a difficult task which could be easily overlooked by the community. Many of the published absorption spectra exhibit a characteristic step-like featureless shape due to light scattering, high optical density of individual perovskite crystals and poor coverage of the substrate. We show how to recognize these artifacts, to avoid them, and to use absorption spectra of films for estimation of the surface coverage ratio. PMID:27120683

  14. Absorption spectra and speciation of plutonium(VI) with phosphate

    SciTech Connect

    Weger, H.T.; Reed, D.

    1996-02-01

    Plutonium(VI)-phosphate species in aqueous solution, at pH < 2.4, formed two species: PuO{sub 2}H{sub 2}PO{sub 4}{sup +} (characterized by an 835 nm absorption band) and the solid phase PuO{sub 2}(H{sub 2}PO{sub 4}){sub 2}. The stability constant {beta} for the PuO{sub 2}H{sub 2}PO{sub 4}{sup +} species was determined to be log {beta} = 2.1 {+-} 0.1 (ionic strength = 0.6--0.9 M) and log {beta}{sup T} = 2.6 {+-} 0.15 (zero ionic strength). Four Pu(VI)-phosphate species (absorption bands at 842, 846, 857, and 866 nm) formed at pH = 2.4 to 12.2 and are characterized by polynuclear behavior, the formation of precipitates, and colloidal properties. The 842 and 846 nm species are believed to be [PuO{sub 2}(HPO{sub 4}){sub m}]{sub n} and [PuO{sub 2}(NaPO{sub 4}){sub m}]{sub n}. The 857 and 866 nm species area as yet unidentified. The speciation of plutonium with phosphate is of interest to radionuclide migration studies because phosphate is present in many groundwaters and may be used as an actinide getter in nuclear waste disposal. An actinide getter is a complexing agent that forms insoluble phases with actinides, thereby reducing their migration.

  15. 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.

  16. 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.

  17. Properties of QSO Metal-line Absorption Systems at High Redshifts: Nature and Evolution of the Absorbers and New Evidence on Escape of Ionizing Radiation from Galaxies

    NASA Astrophysics Data System (ADS)

    Boksenberg, Alec; Sargent, Wallace L. W.

    2015-05-01

    Using Voigt-profile-fitting procedures on Keck High Resolution Spectrograph spectra of nine QSOs, we identify 1099 C IV absorber components clumped in 201 systems outside the Lyman forest over 1.6 <~ z <~ 4.4. With associated Si IV, C II, Si II and N V where available, we investigate the bulk statistical and ionization properties of the components and systems and find no significant change in redshift for C IV and Si IV while C II, Si II and N V change substantially. The C IV components exhibit strong clustering, but no clustering is detected for systems on scales from 150 km s-1 out to 50,000 km s-1. We conclude that the clustering is due entirely to the peculiar velocities of gas present in the circumgalactic media of galaxies. Using specific combinations of ionic ratios, we compare our observations with model ionization predictions for absorbers exposed to the metagalactic ionizing radiation background augmented by proximity radiation from their associated galaxies and find that the generally accepted means of radiative escape by transparent channels from the internal star-forming sites is spectrally not viable for our stronger absorbers. We develop an active scenario based on runaway stars with resulting changes in the efflux of radiation that naturally enable the needed spectral convergence, and in turn provide empirical indicators of morphological evolution in the associated galaxies. Together with a coexisting population of relatively compact galaxies indicated by the weaker absorbers in our sample, the collective escape of radiation is sufficient to maintain the intergalactic medium ionized over the full range 1.9 < z <~ 4.4. The data presented herein 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. The Observatory was made possible by the generous financial support of the W. M. Keck

  18. Influence of laser radiation on induced absorption spectra of pure quartz glass optical fibers

    NASA Astrophysics Data System (ADS)

    Dianov, Y. M.; Karpechev, V. N.; Korniyenko, L. S.; Rybaltovskiy, A. O.; Chernov, P. V.

    1986-01-01

    The influence of laser radiation on radiation color centers and their associated induced absorption in the spectra of irradiated glass optical fibers is investigated. The glass fiber specimens employed had 40 to 50 micron diameter cores made of day pure quartz glass. The optical fibers were 6 to 20 meters long, produced by chemical precipitation from the gaseous phase and clad with reflecting borosilicate glass. Spectral measurements of the induced absorption in the ultraviolet region were made using an FEU-71 photodetector and a sounding radiation source. The stimulated laser emission power in the cross section of the optical fiber was measured by a photodiode; the absorption spectra were recorded by the fragment method. Eight different types of color centers were isolated whose bands cover practically the entire observed absorption spectra. The connection found between color centers and a 340 nm absorption band, and color center with absorption in the infrared band, indicate that absorption in the ultraviolet band can have a significant influence on the amount of induced absorption in the infrared band.

  19. 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.

  20. 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).

  1. 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.

  2. 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

    2015-01-01

    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. PMID:26184143

  3. Absorption spectra of typical space materials in the vacuum ultraviolet

    NASA Astrophysics Data System (ADS)

    Muscari, J. A.

    1981-01-01

    In order to develop a data base for potential optical degradation of space vacuum ultraviolet instruments, the collected volatile condensed material (CVCM) transmittance was measured in the wavelength region from 115 nm to 300 nm. The parent outgassing materials included: the adhesives, Ablebond 36-2, Trabond BB-2116, EA-9309, and Scotchweld 2216; the paints, Chemglaze Z-306, Z-306 over 9922 primer, Z-306 over AP-131 primer, Cat-A-Lac 463-3-8, 463-3-8 over primer, 3M Nextel 401-C10, and 401-C10 over 901-P1 primer; the resins, Fiberite 934, Solithane 113/C113-300 Formulation no. 1, and 113/C113-300 Formulation no. 8; the lubricants, Lube-Lok 4306 and RT/Duroid 5813; and the double-sided adhesive tape 3M-415. The effect of thermal vacuum conditioning of selected materials was also studied. The transmittance measurements were used to calculate the absorption coefficient for each of 28 different source materials versus wavelength.

  4. 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.

  5. 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. PMID:22163455

  6. 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

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

    PubMed

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

    2016-06-29

    A generalized tight-binding model is developed to investigate the feature-rich magneto-optical properties of AAB-stacked trilayer graphene. Three intragroup and six intergroup inter-Landau-level (inter-LL) optical excitations largely enrich magneto-absorption peaks. In general, the former are much higher than the latter, depending on the phases and amplitudes of LL wavefunctions. The absorption spectra exhibit single- or twin-peak structures which are determined by quantum modes, LL energy spectra and Fermion distribution. The splitting LLs, with different localization centers (2/6 and 4/6 positions in a unit cell), can generate very distinct absorption spectra. There exist extra single peaks because of LL anti-crossings. AAB, AAA, ABA, and ABC stackings considerably differ from one another in terms of the inter-LL category, frequency, intensity, and structure of absorption peaks. The main characteristics of LL wavefunctions and energy spectra and the Fermi-Dirac function are responsible for the configuration-enriched magneto-optical spectra. PMID:27305856

  8. 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.

  9. 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).

  10. 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.

  11. 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.

  12. 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).

  13. Lyman-alpha emission from the Lyman-alpha forest. [in high red shift quasar spectra due to molecular clouds

    NASA Technical Reports Server (NTRS)

    Hogan, Craig J.; Weymann, Ray J.

    1987-01-01

    It is suggested that high-dispersion long-slit spectra or very narrow-band etalon images of 'blank' sky could reveal patches of Ly-alpha line emission from the population of clouds whose absorption produces the 'Ly-alpha forest' in QSO spectra. A nonobservation can put limits on the ionizing background at high redshift which are better than those obtainable by direct measurements of background light.

  14. Optical absorption of nanoporous silicon: quasiparticle band gaps and absorption spectra

    NASA Astrophysics Data System (ADS)

    Shi, Guangsha; Kioupakis, Emmanouil

    2013-03-01

    Silicon is an earth-abundant material of great importance in semiconductors electronics, but its photovoltaic applications are limited by the low absorption coefficient in the visible due to its indirect band gap. One strategy to improve the absorbance is to perforate silicon with nanoscale pores, which introduce carrier scattering that enables optical transitions across the indirect gap. We used density functional and many-body perturbation theory in the GW approximation to investigate the electronic and optical properties of porous silicon for various pore sizes, spacings, and orientations. Our calculations include up to 400 atoms in the unit cell. We will discuss the connection of the band-gap value and absorption coefficient to the underlying nanopore geometry. The absorption coefficient in the visible range is found to be optimal for appropriately chosen nanopore size, spacing, and orientation. Our work allows us to predict porous-silicon structures that may have optimal performance in photovoltaic applications. This research was supported as part of CSTEC, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science. Computational resources were provided by the DOE NERSC facility.

  15. Absorption Spectra and Absorption Coefficients for Methane in the 750-940 nm region obtained by Intracavity Laser Spectroscopy

    NASA Astrophysics Data System (ADS)

    O'Brien, J. J.; Cao, H.

    2000-10-01

    Methane spectral features are prominent in the reflected sunlight spectra from the outer planets and some of their major satellites and can provide useful information on the atmospheres of those bodies. Methane bands occurring in the visible to near-IR region are particularly important because for many of these planetary bodies, methane bands occurring in the IR are saturated. Spectral observations of these bodies also are being made at increasingly higher resolution. In order to interpret the planetary spectra, laboratory data for methane obtained at appropriate sample conditions and spectral resolution are required. Since the visible to near-IR spectrum of methane is intrinsically weak, sensitive techniques are required to perform the laboratory measurements. We have employed the intracavity laser spectroscopy (ILS) technique to record methane spectrum in the visible to near-IR region. New results for room temperature methane in the 10,635 - 13,300 cm-1 region and for liquid nitrogen temperature (77 K) methane in the 10,860 - 11,605 cm-1 region will be presented. Spectra throughout the more strongly absorbing sections will be shown. These spectra are acquired at a resolution of 400,000 - 500,000 and are calibrated using iodine reference spectra acquired from an extra-cavity cell at nearly the same time as when the methane data are recorded. From the spectra, absorption coefficients are determined and these are presented as averages over 1 Å and 1 cm-1 intervals. In order to obtain the results, spectra are deconvolved for the instrument function using a Fourier transform technique. The validity of the approach is verified from studies of isolated oxygen lines in the A band occurring around 760 nm. Good agreement is observed between the intensity values determined from the FT deconvolution and integration method and those derived by fitting the observed line profiles to Voigt line-shapes convoluted with the instrument function. The methane results are compared

  16. 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.

  17. Theoretical collision-induced rototranslational absorption spectra for the outer planets - H2-CH4 pairs

    NASA Astrophysics Data System (ADS)

    Borysow, A.; Frommhold, L.

    1986-05-01

    Computations of the rototranslational absorption spectra of H2-CH4 molecular complexes are presented which are based on the classical multipole expansion; spectral profiles are obtained from an exact quantum formalism. The interaction potential is based on laboratory measurements of H2-CH4 pairs at 195 and 297K. The computed spectra provide the most reliable temperature dependence of the absorption coefficient as a function of frequency that can be made under the present circumstances. A theoretical description of the H2CH4 dimer features is given in the isotropic potential approximation. This work is significant for the modeling of the far-infrared absorption of the outer planets' atmospheres, where H2 and CH4 are present.

  18. 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.

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

    SciTech Connect

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

    2012-07-15

    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 {mu}m 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.

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

    PubMed

    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. PMID:22852690

  1. Local environment of metal ions in phthalocyanines: K-edge X-ray absorption spectra.

    PubMed

    Rossi, G; d'Acapito, F; Amidani, L; Boscherini, F; Pedio, M

    2016-09-14

    We report a detailed study of the K-edge X-ray absorption spectra of four transition metal phthalocyanines (MPc, M = Fe, Co, Cu and Zn). We identify the important single and multiple scattering contributions to the spectra in the extended energy range and provide a robust treatment of thermal damping; thus, a generally applicable model for the interpretation of X-ray absorption fine structure spectra is proposed. Consistent variations of bond lengths and Debye Waller factors are found as a function of atomic number of the metal ion, indicating a variation of the metal-ligand bond strength which correlates with the spatial arrangement and occupation of molecular orbitals. We also provide an interpretation of the near edge spectral features in the framework of a full potential real space multiple scattering approach and provide a connection to the local electronic structure. PMID:27510989

  2. IR absorption and Raman spectra of single crystals of stable germanium isotopes

    NASA Astrophysics Data System (ADS)

    Gavva, V. A.; Kotereva, T. V.; Lipskiy, V. A.; Nezhdanov, A. V.

    2016-02-01

    The Raman and IR absorption spectra of single crystals of germanium isotopes 72Ge, 73Ge, 74Ge, and 76Ge in the region of phonon absorption and interband electronic transitions are studied at room temperature. The dependence of the Raman peak position on the atomic mass has the form ν ~ M -1/2. The shifts of the phonon absorption peaks of individual isotopes with respect to germanium of natural isotopic composition natGe are determined. With increasing average atomic mass of germanium, these peaks shift to longer wavelengths. In the region of interband electronic transitions, the intrinsic absorption edge of 76Ge is observed to shift by 1 meV to higher energies with respect to Ge of natural isotopic composition. For isotopes with atomic masses close to that of natural germanium (72Ge,73Ge, 74Ge), we found no significant difference in the band gap width at room temperature.

  3. Communication: On the difficulty of reproducibly measuring PbCl2 X-ray absorption spectra

    NASA Astrophysics Data System (ADS)

    Schwartz, Craig P.; Prendergast, David

    2015-09-01

    Previous measurements of the X-ray absorption spectra of PbCl2 at the chlorine K-edge have shown significant variation between different studies. Herein, using first principles simulations of X-ray absorption spectroscopy, we show that the observed spectral variations are due to the generation of Cl2 gas and depletion of chlorine from PbCl2, consistent with what is observed during ultraviolet absorption for the same compound. We note that Cl2 gas generation can also be initiated using higher resonant X-ray energies, including Pb X-ray absorption edges. While this casts doubt on previous interpretations of certain measurements, it does indicate a means of generating chlorine gas during in situ experiments by passing high energy x-rays through a hard x-ray transparent medium and onto PbCl2.

  4. Communication: On the difficulty of reproducibly measuring PbCl2 X-ray absorption spectra.

    PubMed

    Schwartz, Craig P; Prendergast, David

    2015-09-21

    Previous measurements of the X-ray absorption spectra of PbCl2 at the chlorine K-edge have shown significant variation between different studies. Herein, using first principles simulations of X-ray absorption spectroscopy, we show that the observed spectral variations are due to the generation of Cl2 gas and depletion of chlorine from PbCl2, consistent with what is observed during ultraviolet absorption for the same compound. We note that Cl2 gas generation can also be initiated using higher resonant X-ray energies, including Pb X-ray absorption edges. While this casts doubt on previous interpretations of certain measurements, it does indicate a means of generating chlorine gas during in situ experiments by passing high energy x-rays through a hard x-ray transparent medium and onto PbCl2. PMID:26395677

  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. 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. PMID:27168298

  7. 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

  8. 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.

  9. 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.

  10. Studies on external electric field effects on absorption and fluorescence spectra of NADH

    NASA Astrophysics Data System (ADS)

    Nakabayashi, Takakazu; Islam, Md. Serajul; Li, Liming; Yasuda, Masahide; Ohta, Nobuhiro

    2014-03-01

    Electric field effects on absorption and fluorescence spectra have been investigated for NADH that is a representative autofluorescent chromophore in cells. The change in electric dipole moment following absorption is significant in the electroabsorption spectrum, indicating charge transfer character in the excited state. The fluorescence intensity decreases in the presence of an electric field, which arises from the field-induced increase in the rate of the non-radiative process. The blue shift of the fluorescence spectrum and the increase in the fluorescence lifetime of NADH are measured in yeast cells, which is discussed in terms of a local electric field around NADH.

  11. Absorption spectra of monolayer MoS2 in high magnetic field

    NASA Astrophysics Data System (ADS)

    Yang, Hung-Duen; Her, Jim-Long; Takeyama, Shojiro; Matsuda, Yasuhiro; Wang, Kai-Hsuan

    2015-03-01

    We have measured the absorption spectra of monolayer MoS2 film at several temperatures in pulsed high magnetic fields up to 52 T. At room temperature, the observed spectrum dominated by two main peaks, which are located at 660 nm and 606 nm. These peaks are ascribed to excition and trion absorption peaks respectively [1]. At low temperature (4.2 K), two peaks show the blue shift to 633 nm and 588 nm, respectively. Irrespective of the temperature, applying magnetic field does not show pronounced influence on the peaks even in 52 T.

  12. 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.

  13. 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.

  14. 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. PMID:27343458

  15. 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.

  16. UV Absorption and Luminescence Spectra of [2.2]Paracyclophane Phenyl Derivatives

    NASA Astrophysics Data System (ADS)

    Nurmukhametov, R. N.; Shapovalov, A. V.; Antonov, D. Yu.

    2016-03-01

    UV absorption, fluorescence emission and excitation, and fluorescence excitation synchronous scanning spectra at 298 K and fluorescence and phosphorescence spectra at 77 K were measured for solutions of 4-phenyl- ( I) and 4,12-( II), 4,15- ( III), and 4,16-diphenyl derivatives ( IV) of [2.2]paracyclophane. Analysis of absorption spectra shows that they are determined by two types of chromophores (biphenyl and paracyclophane). It was shown that their weak long wavelength band (310-340 nm) and fluorescence band are governed by the same electron transition from the ground to an excimer-like excited state, as in the case of the unsubstituted macrocycle. Phenyl substitution shows only a weak influence on the energy of this transition. Strong absorption bands of I- IV at 230-310 nm originate from electronic transitions of biphenyl groups in these molecules. The strong bands of isomeric II- IV (with two biphenyl chromophores) differ significantly. It was supposed that this phenomenon was caused by different resonance interaction between electron oscillators (transitions) of the two biphenyl chromophores leading to different splitting of their excited states.

  17. 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.

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

    PubMed

    Chandran, Satheesh; Varma, Ravi

    2016-01-15

    1, 4-Dioxane (DX) is a commonly found ether in industrially polluted atmosphere. The near infrared absorption spectra of this compound has been recorded in the region 5900-8230 cm(-1) with a resolution of 0.08 cm(-1) using a novel Fourier transform incoherent broadband cavity-enhanced absorption spectrometer (FT-IBBCEAS). All recorded spectra were found to contain regions that are only weakly perturbed. The possible combinations of fundamental modes and their overtone bands corresponding to selected regions in the measured spectra are tabulated. Two interesting spectral regions were identified as 5900-6400 cm(-1) and 8100-8230 cm(-1). No significant spectral interference due to presence of water vapor was observed suggesting the suitability of these spectral signatures for spectroscopic in situ detection of DX. The technique employed here is much more sensitive than standard Fourier transform spectrometer measurements on account of long effective path length achieved. Hence significant enhancement of weaker absorption lines above the noise level was observed as demonstrated by comparison with an available measurement from database. PMID:26474242

  19. Absorption features in the 3 micron spectra of highly obscured objects

    NASA Technical Reports Server (NTRS)

    Smith, Robert G.; Sellgren, Kris; Tokunaga, Alan T.

    1989-01-01

    Using the IRTF cooled-grating spectrometer moderate resolution 2.4 to 3.8 micron spectra of a selection of IR protostars and one object located behind the Taurus dark cloud were obtained. Two examples of the spectra are presented. It is clear that the absorption near 3.07 micron is dominated by H2O ice and a comparison between the spectra and a simple H2O ice model allows a temperature estimate for the hottest ice-coated grains in these sources. Higher resolution observations showed no indication of the absorption due to the N-H stretching vibration of NH3 near 2.963 micron. The most plausible explanation for the 3.3 and 3.45 micron features appears to be absorption by the mixture of hydrocarbons, although they cannot be identified with features already attributed to hydrocarbons in the ISM, reflection nebulae and Comets. However these features appear the same for all sources in the sample, including Elias 16, thus implying a very similar mixture of molecules in each source.

  20. 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

    2011-11-01

    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. PMID:21936513

  1. 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%.

  2. Twin-peaks absorption spectra of excess electron in ionic liquids

    NASA Astrophysics Data System (ADS)

    Musat, Raluca M.; Kondoh, Takafumi; Yoshida, Yoichi; Takahashi, Kenji

    2014-07-01

    The solvated electron in room temperature ionic liquids (RTILs) has been the subject of several investigations and several reports exist on its nature and absorption spectrum. These studies concluded that the solvated electron exhibits an absorption spectrum peaking in the 1000-1400 nm region; a second absorption band peaking in the UV region has been assigned to the hole or dication radicals simultaneously formed in the system. Here we report on the fate of the excess electron in the ionic liquid 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide, P14+/NTf2- using nanosecond pulse radiolysis. Scavenging experiments allowed us to record and disentangle the complex spectrum measured in P14+/NTf2-. We identified a bi-component absorption spectrum, due to the solvated electron, the absorption maxima located at 1080 nm and around 300 nm, as predicted by previous ab-initio molecular dynamics simulations for the dry excess electron. We also measured the spectra using different ionic liquids and confirmed the same feature of two absorption peaks. The present results have important implications for the characterization of solvated electrons in ionic liquids and better understanding of their structure and reactivity.

  3. In vivo determination of the absorption and scattering spectra of the human prostate during photodynamic therapy

    PubMed Central

    Finlay, Jarod C.; Zhu, Timothy C; Dimofte, Andreea; Stripp, Diana; Malkowicz, S. Bruce; Whittington, Richard; Miles, Jeremy; Glatstein, Eli; Hahn, Stephen M.

    2015-01-01

    A continuing challenge in photodynamic therapy is the accurate in vivo determination of the optical properties of the tissue being treated. We have developed a method for characterizing the absorption and scattering spectra of prostate tissue undergoing PDT treatment. Our current prostate treatment protocol involves interstitial illumination of the organ via cylindrical diffusing optical fibers (CDFs) inserted into the prostate through clear catheters. We employ one of these catheters to insert an isotropic white light point source into the prostate. An isotropic detection fiber connected to a spectrograph is inserted into a second catheter a known distance away. The detector is moved along the catheter by a computer-controlled step motor, acquiring diffuse light spectra at 2 mm intervals along its path. We model the fluence rate as a function of wavelength and distance along the detector’s path using an infinite medium diffusion theory model whose free parameters are the absorption coefficient µa at each wavelength and two variables A and b which characterize the reduced scattering spectrum of the form µ’s = Aλ−b. We analyze our spectroscopic data using a nonlinear fitting algorithm to determine A, b, and µa at each wavelength independently; no prior knowledge of the absorption spectrum or of the sample’s constituent absorbers is required. We have tested this method in tissue simulating phantoms composed of intralipid and the photosensitizer motexafin lutetium (MLu). The MLu absorption spectrum recovered from the phantoms agrees with that measured in clear solution, and µa at the MLu absorption peak varies linearly with concentration. The µ’s spectrum reported by the fit is in agreement with the known scattering coefficient of intralipid. We have applied this algorithm to spectroscopic data from human patients sensitized with MLu (2 mg kg−1) acquired before and after PDT. Before PDT, the absorption spectra we measure include the characteristic

  4. 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. PMID:26026299

  5. Absorption spectra and photoresponse observation of Cu2O thin film photoanodes

    NASA Astrophysics Data System (ADS)

    Mani, Endri; Garuthara, Rohana

    2014-03-01

    Electrodeposition was used to deposit Cu2O thin films on ITO substrates. The deposited Cu2O films were characterized by photocurrent, absorption and reflectance spectroscopy. Photoresponse of the film clearly indicated n-type behavior of Cu2O in photoelectrochemical cells. The effects of chlorine doped photoanodes deposited in different solution pH on the magnitude of their photocurrent are studied. The low temperature absorption spectra of chlorine doped Cu2O films are found to depend on the solution pH in the range 10.0-7.5. Optical absorption spectra of Cu2O films were measured in the temperature range 79K - 295K. The Urbach's tail was observed for n-type conductive Cu2O films in the temperature range 79K to 295K. The Urbach's energy as a function of temperature for Cu2O films were studied. The results will be discussed with emphasis on the reflectance, absorption and photoresponse observation.

  6. 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.

  7. 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.

  8. pH-dependent x-ray absorption spectra of aqueous boron oxides

    NASA Astrophysics Data System (ADS)

    Duffin, Andrew M.; Schwartz, Craig P.; England, Alice H.; Uejio, Janel S.; Prendergast, David; Saykally, Richard J.

    2011-04-01

    Near edge x-ray absorption fine structure (NEXAFS) spectra at the boron K-edge were measured for aqueous boric acid, borate, and polyborate ions, using liquid microjet technology, and compared with simulated spectra calculated from first principles density functional theory in the excited electron and core hole (XCH) approximation. Thermal motion in both hydrated and isolated molecules was incorporated into the calculations by sampling trajectories from quantum mechanics/molecular mechanics simulations at the experimental temperature. The boron oxide molecules exhibit little spectral change upon hydration, relative to mineral samples. Simulations reveal that water is arranged nearly isotropically around boric acid and sodium borate, but the calculations also indicate that the boron K-edge NEXAFS spectra are insensitive to hydrogen bonding, molecular environment, or salt interactions.

  9. Suzaku observations of the type 2 QSO in the central galaxy of the Phoenix cluster

    SciTech Connect

    Ueda, Shutaro; Hayashida, Kiyoshi; Anabuki, Naohisa; Nakajima, Hiroshi; Koyama, Katsuji; Tsunemi, Hiroshi

    2013-11-20

    We report the Suzaku/XIS and HXD and Chandra/ACIS-I results on the X-ray spectra of the Phoenix cluster at the redshift z = 0.596. The spectrum of the intracluster medium (ICM) is well reproduced with the emissions from low-temperature (∼3.0 keV and ∼0.76 solar) and high-temperature (∼11 keV and ∼0.33 solar) plasmas; the former is localized at the cluster core, while the latter distributes over the cluster. In addition to these ICM emissions, a strongly absorbed power-law component is found, which is due to an active galactic nucleus (AGN) in the cluster center. The absorption column density and unobscured luminosity of the AGN are ∼3.2 × 10{sup 23} cm{sup –2} and ∼4.7 × 10{sup 45} erg s{sup –1} (2-10 keV), respectively. Furthermore, a neutral iron (Fe I) K-shell line is discovered for the first time with the equivalent width (EW) of ∼150 eV at the rest frame. The column density and the EW of the Fe I line are exceptionally large for such a high-luminosity AGN, and hence the AGN is classified as a type 2 quasi-stellar object (QSO). We speculate that a significant fraction of the ICM cooled gas would be consumed to maintain the torus and to activate the type 2 QSO. The Phoenix cluster has a massive starburst in the central galaxy, indicating that suppression in the cooling flow is less effective. This may be because the onset of the latest AGN feedback has occurred recently and has not yet been effective. Alternatively, the AGN feedback is predominantly in radiative mode, not in kinetic mode, and the torus may work as a shield to reduce its effect.

  10. 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.

  11. NOTE: Absorption spectra variations of EBT radiochromic film from radiation exposure

    NASA Astrophysics Data System (ADS)

    Butson, M. J.; Cheung, T.; Yu, P. K. N.

    2005-07-01

    Gafchromic EBT radiochromic film is one of the newest radiation-induced auto-developing x-ray analysis films available for therapeutic radiation dosimetry in radiotherapy applications. The spectral absorption properties in the visible wavelengths have been investigated and results show two main peaks in absorption located at 636 nm and 585 nm. These absorption peaks are different to many other radiochromic film products such as Gafchromic MD-55 and HS film where two peaks were located at 676 nm and 617 nm respectively. The general shape of the absorption spectra is similar to older designs. A much higher sensitivity is found at high-energy x-rays with an average 0.6 OD per Gy variation in OD seen within the first Gy measured at 636 nm using 6 MV x-rays. This is compared to approximately 0.09 OD units for the first Gy at the 676 nm absorption peak for HS film at 6 MV x-ray energy. The film's blue colour is visually different from older varieties of Gafchromic film with a higher intensity of mid-range blue within the film. The film provides adequate relative absorbed dose measurement for clinical radiotherapy x-ray assessment in the 1 2 Gy dose range which with further investigation may be useful for fractionated radiotherapy dose assessment.

  12. Ly alpha and IR galaxy companions of high redshift damped Ly alpha QSO absorbers

    NASA Technical Reports Server (NTRS)

    Caulet, Adeline; Mccaughrean, Mark

    1993-01-01

    We have used a Near-Infrared Camera and Multi-Object Spectrometer (NICMOS3) HgCdTe 256x256 array detector with the Infrared (IR) camera on the 2.3m telescope at Steward Observatory to image several Quasi-Stellar Object (QSO) fields. The limiting magnitude is K'(2.1 microns) = 21.0 - 21.5 mag per square arcsec for a 3 sigma detection in 3 hours of in-field chopping observations. Each QSO line-of-sight samples several known absorbers with Mg2(lambda)2796-2803 A and/or C4(lambda)1548-1551 A absorption doublets. The equivalent width distributions of the low and high ionization absorption lines of the absorber sample are identical to those of the parent population of all absorbers. This selection process, used already for a spectroscopic survey of Mg2 absorption lines in C4-selected absorption systems at high z, gives a methodical approach to observing, reduces the observer biases, and makes a more efficient use of telescope time. This selection guarantees that imaging of the sample of QSO fields will provide complete sampling of the whole population of high z QSO absorbers. Follow-up optical and IR spectroscopy of these objects is scheduled for redshift measurement and confirmation of the absorbing galaxies and the cluster members.

  13. Largescale QSO - Galaxy Correlations Revisited

    NASA Astrophysics Data System (ADS)

    Bartelmann, M.; Schneider, P.

    1993-04-01

    Fugmann (1990) claimed indications for correlations between Lick galaxies and high-redshift, radio-loud background sources. We re- analyze these correlations using an improved statistical method based on Spearman's rank-order test, which we have introduced recently (Bartelmann & Schneider 1993). To our surprise, we are not able to reproduce Fugmann's results, but we detect a significant correlation between moderate-redshift sources from the 1-Jansky catalog and Lick galaxies, which increases when we apply an optical flux limit to the source sample. We interpret these empirical results in terms of an amplification bias caused by gravitational light deflection by dark matter; in particular, we argue that the observed large-scale QSO-galaxy correlations can provide a proof for the association of luminous matter (galaxies) with dark matter.

  14. 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.

  15. Time variations of narrow absorption lines in high resolution quasar spectra

    NASA Astrophysics Data System (ADS)

    Boissé, P.; Bergeron, J.; Prochaska, J. X.; Péroux, C.; York, D. G.

    2015-09-01

    Aims: We have searched for temporal variations of narrow absorption lines in high resolution quasar spectra. A sample of five distant sources were assembled, for which two spectra are available, either VLT/UVES or Keck/HIRES, which were taken several years apart. Methods: We first investigate under which conditions variations in absorption line profiles can be detected reliably from high resolution spectra and discuss the implications of changes in terms of small-scale structure within the intervening gas or intrinsic origin. The targets selected allow us to investigate the time behaviour of a broad variety of absorption line systems by sampling diverse environments: the vicinity of active nuclei, galaxy halos, molecular-rich galaxy disks associated with damped Lyα systems, as well as neutral gas within our own Galaxy. Results: Intervening absorption lines from Mg ii, Fe ii, or proxy species with lines of lower opacity tracing the same kind of (moderately ionised) gas appear in general to be remarkably stable (1σ upper limits as low as 10% for some components on scales in the range 10-100 au), even for systems at zabs ≈ ze. Marginal variations are observed for Mg ii lines towards PKS 1229-021 at zabs = 0.83032; however, we detect no systems that display any change as large as those reported in low resolution SDSS spectra. The lack of clear variations for low β Mg ii systems does not support the existence of a specific population of absorbers made of swept-up gas towards blazars. In neutral or diffuse molecular media, clear changes are seen for Galactic Na i lines towards PKS 1229-02 (decrease in N by a factor of four for one of the five components over 9.7 yr), corresponding to structure on a scale of about 35 au, in good agreement with known properties of the Galactic interstellar medium. Tentative variations are detected for H2J = 3 lines towards FBQS J2340-0053 at zabs = 2.05454 (≃35% change in column density, N, over 0.7 yr in the rest frame), suggesting

  16. 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

  17. 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

  18. Measurability of Kinetic Temperature from Metal Absorption-Line Spectra Formed in Chaotic Media

    NASA Astrophysics Data System (ADS)

    Levshakov, Sergei A.; Takahara, Fumio; Agafonova, Irina I.

    1999-06-01

    We present a new method for recovering the kinetic temperature of the intervening diffuse gas to an accuracy of 10%. The method is based on the comparison of unsaturated absorption-line profiles of two species with different atomic weights. The species are assumed to have the same temperature and bulk motion within the absorbing region. The computational technique involves the Fourier transform of the absorption profiles and the consequent entropy-regularized χ2-minimization (ERM) to estimate the model parameters. The procedure is tested using synthetic spectra of C+, Si+, and Fe+ ions. The comparison with the standard Voigt fitting analysis is performed, and it is shown that the Voigt deconvolution of the complex absorption-line profiles may result in estimated temperatures that are not physical. We also successfully analyze Keck telescope spectra of C II λ1334 and Si II λ1260 lines observed at the redshift z=3.572 toward the quasar Q1937-1009 by Tytler et al. Based in part on data obtained at the W. M. Keck Observatory, which is jointly operated by the University of California and the California Institute of Technology.

  19. Interplay between structural and electronic properties of various fullerene derivatives, and their absorption spectra

    NASA Astrophysics Data System (ADS)

    Park, Sora; Ahn, Jeung Sun; Kwon, Young-Kyun

    2011-03-01

    Using density functional theory (DFT), we investigate the geometrical structures and electronic properties of various fullerene derivatives formed by attaching several kinds of addends on C60 through [2+2] cycloaddition. Various forms of such derivatives are modeled by considering different kinds, different positions and different numbers of addends to study how structural configurations will affect their electronic structures. Our results reveal that some derivatives with certain symmetries determined by the configuration of addends may have wider energy gap than that of pristine C60 . This suggests that absorption properties could be adjusted by controlling the addends configurations. To describe the excited state properties, such as absorption spectra, of various C60 derivatives more accurately, we performed time-dependent (TD) DFT calculations. We find the position and the intensity of the peak of absorption spectra of derivatives are affected by the specific symmetry of the derivatives defined by the configurations of the addends. To explore such peculiar effects, we analyze the charge distribution and orbital mixing characters.

  20. Effects of Spectralon absorption on reflectance spectra of typical planetary surface analog materials.

    PubMed

    Zhang, Hao; Yang, Yazhou; Jin, Weidong; Liu, Chujian; Hsu, Weibiao

    2014-09-01

    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. PMID:25321507

  1. Vibronic bandshape of the absorption spectra of dibenzoylmethanatoboron difluoride derivatives: analysis based on ab initio calculations.

    PubMed

    Rukin, Pavel S; Freidzon, Alexandra Ya; Scherbinin, Andrei V; Sazhnikov, Vyacheslav A; Bagaturyants, Alexander A; Alfimov, Michael V

    2015-07-14

    The nature of absorption bandshapes of dibenzoylmethanatoboron difluoride (DBMBF2) dye substituted in ortho-, meta-, and para-positions of the phenyl ring is investigated using DFT and TDDFT with the range-separated hybrid CAM-B3LYP functional and the 6-311G(d,p) basis set. The solvent effects are taken into account within the polarized continuum model. The vibronic bandshape is simulated using a time-dependent linear coupling model with a vertical gradient approach through an original code. For flexible chromophores, the spectra of individual conformers are summed up with Boltzmann factors. It is shown that the long-wavelength absorption bandshape of DBMBF2 derivatives is determined by three factors: the relative statistical weights of conformers with different electronic absorption patterns, the relative position and intensity of the second low-energy electronic transition, and the vibronic structure of individual electronic peaks. The latter is governed by the relationship between the hard vibrational modes, which contribute to vibronic progression, and soft modes, which provide broadening of the peaks. The simulated spectra of the dyes in the study are generally consistent with the available experimental data and explain the observed spectral features. PMID:26062782

  2. 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.

  3. 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.

  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. 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). PMID:26098142

  6. High resolution deep imaging of a bright radio quiet QSO at z ~ 3

    NASA Astrophysics Data System (ADS)

    Wang, Yi-Ping; He, Wei; Yamada, Toru; Tanaka, Ichi; Iye, Masanori; Ji, Tuo

    2015-05-01

    We have obtained deep J and Ks-band images centered on a bright radio quiet QSO UM 402 (zem = 2.856) using the IRCS camera and adaptive optics systems that are part of the Subaru Telescope, as well as retrieved WFC3/F140W archive images of this object. A faint galaxy (mk = 23.32±0.05 in the Vega magnitude system) that lies ~ 2.4″ north of the QSO sightline has been clearly resolved in all three deep high resolution datasets, and appears as an irregular galaxy with two close components in the Ks-band images (separation ~ 0.3″). Given the small impact parameter (b = 19.6 kpc, at zlls = 2.531), as well as the red color of (J - Ks)Vega ~ 1.6, it might be a candidate galaxy giving rise to the Lyman Limit system absorption at zabs = 2.531 seen in the QSO spectrum. After carefully subtracting the point spread function from the QSO images, the host galaxy of this bright radio quiet QSO at z ~ 3 was marginally revealed. We placed a lower limit on the host component of mk ~ 23.3 according to our analyses. Supported by the National Natural Science Foundation of China.

  7. 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.

  8. Infrared absorption and vibrational circular dichroism spectra of poly(vinyl ether) containing diastereomeric menthols as pendants

    NASA Astrophysics Data System (ADS)

    McCann, Jennifer L.; Rauk, Arvi; Wieser, Hal

    1997-06-01

    The absorption and vibrational circular dichroism (VCD) spectra in the 1700 to 830 cm -1 region are reported and qualitatively interpreted for poly(vinyl ether) with (+)-menthol (I), (+)-isomenthol (II) and (+)-neomenthol (III) as pendants.

  9. Dielectric tensor of tetracene single crystals: the effect of anisotropy on polarized absorption and emission spectra.

    PubMed

    Tavazzi, S; Raimondo, L; Silvestri, L; Spearman, P; Camposeo, A; Polo, M; Pisignano, D

    2008-04-21

    The full UV-visible dielectric tensor and the corresponding directions of the principal axes of triclinic tetracene crystals are reported as deduced either by polarized absorption and ellipsometry measurements or by calculations based on the molecular and crystallographic data. The results allow the attribution of the polarized bands observed in both absorption and photoluminescence emission spectra. In particular, the spectral line shape and polarization of the emission are found to depend on the sample thickness, and the effect is attributed to the modification of the state of polarization of the emitted light during its propagation inside the crystal. Indeed, the directions of polarization of the lowest optical transitions and the directions of the principal axes of the dielectric tensor are demonstrated not to coincide, in contrast to the assumptions typically made in the literature, thus causing the mixed transverse/longitudinal character of light propagation. PMID:18433260

  10. Index of Refraction and Absorption Coefficient Spectra of Paratellurite in the Terahertz Region

    NASA Astrophysics Data System (ADS)

    Unferdorben, Márta; Buzády, Andrea; Hebling, János; Kiss, Krisztián; Hajdara, Ivett; Kovács, László; Péter, Ágnes; Pálfalvi, László

    2016-07-01

    Index of refraction and absorption coefficient spectra of pure paratellurite (α-TeO2) crystal as a potential material for terahertz (THz) applications were determined in the 0.25-2 THz frequency range at room temperature by THz time domain spectroscopy (THz-TDS). The investigation was performed with beam polarization both parallel (extraordinary polarization) and perpendicular (ordinary polarization) to the optical axis [001] of the crystal. Similarly to the visible spectral range, positive birefringence was observed in the THz range as well. It was shown that the values of the refractive index for extraordinary polarization are higher and show significantly larger dispersion than for the ordinary one. The absorption coefficient values are also larger for extraordinary polarization. The measured values were fitted by theoretical curves derived from the complex dielectric function containing independent terms of Lorentz oscillators due to phonon-polariton resonances. The results are compared with earlier publications, and the observed significant discrepancies are discussed.

  11. Radiolytically induced formation and optical absorption spectra of colloidal silver nanoparticles in supercritical ethane.

    SciTech Connect

    Dimitrijevic, N. M.; Bartels, D. M.; Jonah, C. D.; Takahashi, K.; Rajh, T.; Chemistry

    2001-02-08

    Colloidal silver nanoparticles were synthesized in supercritical ethane at 80 {sup o}C and 80-120 bar, with methanol as cosolvent. Solvated electrons, produced by a pulse of 20 MeV electrons, reduced the silver ions. The time-resolved technique of pulse radiolysis was employed to characterize the reduction products and colloidal metallic particles. The absorption spectra of small silver clusters (Ag{sub 2}{sup +}, Ag{sub 3}{sup +}, Ag{sub 4}{sup 2+}, etc.) were detected at short times after the pulse. Colloidal metallic silver particles were identified by their characteristic plasmon absorption at 1-10 s after the pulse. Colloidal particles are stable for hours in supercritical ethane. The particles are less than 10 nm in diameter. Their size was determined using transmission electron microscope after precipitation from the solution.

  12. Pressure dependence of Hexanitrostilbene Raman/ electronic absorption spectra to validate DFT EOS

    NASA Astrophysics Data System (ADS)

    Farrow, Darcie; Alam, Kathleen; Martin, Laura; Fan, Hongyou; Kay, Jeffrey; Wixom, Ryan

    2015-06-01

    Due to its thermal stability and low vapor pressure, Hexanitrostilbene (HNS) is often used in high-temperature or vacuum applications as a detonator explosive or in mild detonating fuse. Toward improving the accuracy of the equation of state used in hydrodynamic simulations of the performance of HNS, we have measured the Raman and electronic absorption spectra of this material under static pressure in a diamond anvil cell. Density functional theory calculations were used to simulate the pressure dependence of the Raman/Electronic spectra along the Hugoniot and 300K isotherm for comparison and to aid in interpreting the data. We will discuss changes in the electronic structure of HNS under pressure, validation of a DFT predicted equation of state (EOS), and using this data as a basis for understanding future pulsed Raman measurements on dynamically compressed HNS samples.

  13. 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.

  14. 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.

  15. Atomic calculations and search for variation of the fine-structure constant in quasar absorption spectra

    NASA Astrophysics Data System (ADS)

    Dzuba, V. A.; Flambaum, V. V.

    A brief review of the search for variation of the fine structure constant in quasar absorption spectra is presented. Special consideration is given to the role of atomic calculations in the analysis of the observed data. A range of methods which allow to perform calculations for atoms or ions with different electron structure and which cover practically all periodic table of elements is discussed. Critical compilation of the results of the calculations as well as a review of the most recent results of the analysis are presented.

  16. Decay heat and anti-neutrino energy spectra in fission fragments from total absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Rykaczewski, Krzysztof

    2015-10-01

    Decay studies of over forty 238U fission products have been studied using ORNL's Modular Total Absorption Spectrometer. The results are showing increased decay heat values, by 10% to 50%, and the energy spectra of anti-neutrinos shifted towards lower energies. The latter effect is resulting in a reduced number of anti-neutrinos interacting with matter, often by tens of percent per fission product. The results for several studied nuclei will be presented and their impact on decay heat pattern in power reactors and reactor anti-neutrino physics will be discussed.

  17. Water vapor absorption spectra of the upper atmosphere /45-185 per cm/

    NASA Technical Reports Server (NTRS)

    Augason, G. C.; Mord, A. J.; Witteborn, F. C.; Erickson, E. F.; Swift, C. D.; Caroff, L. J.; Kunz, L. W.

    1975-01-01

    The far IR nighttime absorption spectrum of the earth's atmosphere above 14 km is determined from observations of the bright moon. The spectra were obtained using a Michelson interferometer attached to a 30-cm telescope aboard a high-altitude jet aircraft. Comparison with a single-layer model atmosphere implies a vertical column of 3.4 plus or minus 0.4 microns of precipitable water on 30 August 1971 and 2.4 plus or minus 0.3 microns of precipitable water on 6 January 1972.-

  18. Water vapor absorption spectra of the upper atmosphere (45-185 cm(-1)).

    PubMed

    Augason, G C; Mord, A J; Witteborn, F C; Erickson, E F; Swift, C D; Caroff, L J; Kunz, L W

    1975-09-01

    The far ir nighttime absorption spectrum of the earth's atmosphere above 14 km is determined from observations of the bright moon. The spectra were obtained using a Michelson interferometer attached to a 30-cm telescope aboard a high-altitude jet aircraft. Comparison with a single-layer model atmosphere implies a vertical column of 3.4 +/- 0.4 mum of percipitable water on 30 August 1971 and 2.4 +/- 0.3 mum of precipitable water on 6 January 1972. PMID:20154976

  19. Absorption spectra of riboflavin--a difficult case for computational chemistry.

    PubMed

    Wu, Min; Eriksson, Leif A

    2010-09-23

    Computing accurate absorption spectra of riboflavin (RBF) has proven a difficult task for computational chemistry. Time-dependent density functional theory have herein been employed using a wide range of recent range-separated and hybrid meta functionals to investigate ultraviolet and visible spectra of RBF to determine if any progress has been made through recent developments. It is concluded that B3LYP and PBE0 perform the best throughout the entire test set. However, since all methods deviate from experimental results by at least 40 nm when computing the spectra in vacuum, two approaches to describe aqueous solution are implemented together with the MPWB1K, B3LYP, and PBE0 functionals: implicitly using integral equation formulation of the polarized continuum model (minor improvement) and explicitly through molecular dynamics (MD) simulations of the molecule embedded in a water cluster whereafter snapshots of RBF-water clusters are extracted and time-dependent density functional theory calculations performed. The resulting averaged spectra from the MD-simulated clusters show a constant blue-shift for all peaks by ∼20 nm compared to experimental data at the TD-B3LYP/6-31+G(d,p) level. PMID:20718485

  20. 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.

  1. Appraisal of Surface Hopping as a Tool for Modeling Condensed Phase Linear Absorption Spectra.

    PubMed

    Petit, Andrew S; Subotnik, Joseph E

    2015-09-01

    Whereas surface hopping is usually used to study populations and mean-field dynamics to study coherences, in two recent papers, we described a procedure for calculating dipole-dipole correlation functions (and therefore absorption spectra) directly from ensembles of surface hopping trajectories. We previously applied this method to a handful of one-dimensional model problems intended to mimic the gas phase. In this article, we now benchmark this new procedure on a set of multidimensional model problems intended to mimic the condensed phase and compare our results against other standard semiclassical methods. By comparison, we demonstrate that methods that include only dynamical information from one PES (the standard Kubo approaches) exhibit large discrepancies with the results of exact quantum dynamics. Furthermore, for model problems with nonadiabatic excited state dynamics but no quantized vibrational structure in the spectra, our surface hopping approach performs comparably to using Ehrenfest dynamics to calculate the electronic coherences. That being said, however, when quantized vibrational structures are present in the spectra but the electronic states are uncoupled, performing the dynamics on the mean PES still outperforms our present method. These benchmark results should influence future studies that use ensembles of independent semiclassical trajectories to model linear as well as multidimensional spectra in the condensed phase. PMID:26575927

  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. Physical Conditions in Quasar Outflows: Very Large Telescope Observations of QSO 2359-1241

    NASA Astrophysics Data System (ADS)

    Korista, Kirk T.; Bautista, Manuel A.; Arav, Nahum; Moe, Maxwell; Costantini, Elisa; Benn, Chris

    2008-11-01

    We analyze the physical conditions of the outflow seen in QSO 2359-1241 (NVSS J235953-124148), based on high-resolution spectroscopic VLT observations. This object was previously studied using Keck HIRES data. The main improvement over the HIRES results is our ability to accurately determine the number density of the outflow. For the major absorption component, the populations from five different Fe II excited levels yield a gas density nH = 104.4 cm-3 with less than 20% scatter. We find that the Fe II absorption arises from a region with roughly constant conditions and temperature greater than 9000 K, before the ionization front where temperature and electron density drop. Further, we model the observed spectra and investigate the effects of varying gas metallicities and the spectral energy distribution of the incident ionizing radiation field. The accurately measured column densities allow us to determine the ionization parameter (log UH ≈ - 2.4) and total column density of the outflow [log NH(cm -2) ≈ 20.6]. Combined with the number density finding, these are stepping stones toward determining the mass flux and kinetic luminosity of the outflow, and therefore its importance to AGN feedback processes. Based on observations made with ESO Telescopes at the Paranal Observatories under program 078.B-0433(A).

  4. 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.

  5. 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

  6. 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…

  7. Plasmonic resonance absorption spectra in mid-infrared in an array of graphene nanoresonators

    NASA Astrophysics Data System (ADS)

    Abeysinghe, Don C.; Myers, Joshua; Nader Esfahani, Nima; Hendrickson, Joshua R.; Cleary, Justin W.; Walker, Dennis E.; Chen, Kuei-Hsien; Chen, Li-Chyong; Mou, Shin

    2013-12-01

    We experimentally demonstrated graphene plasmon resonant absorption in mid-IR by utilizing an array of graphene nanoribbon resonators on SiO2 substrate. By tuning resonator width we probed the graphene plasmons with λp <= λ0/100 and plasmon resonances as high as 0.240 eV (2100 cm-1) for 40 nm wide nanoresonators. Resonant absorption spectra revealed plasmon dispersion as well as plasmon damping due to the interaction of graphene plasmons with the surface polar phonons in SiO2 substrate and intrinsic graphene optical phonons. Graphene nanoribbons with varying widths enabled us to identify the damping mechanisms of graphene plasmons and much reduced damping was observed when the plasmon resonance frequencies were close to the substrate polar phonon frequencies. Then, by direct ebeam exposure of graphene nanoresonators, we effectively changed the carrier density and caused red-shift of the plasmon spectra. This work will provide insight into light-sensitive, frequency-tunable photodetectors based on graphene's plasmonic excitations.

  8. 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.

  9. Understanding the absorption and emission spectra of borondipyrromethene dye and its substituted analogues

    NASA Astrophysics Data System (ADS)

    Nithya, R.; Kolandaivel, P.; Senthilkumar, K.

    2012-04-01

    Borondipyrromethene (BODIPY) dye possesses a bright and long wavelength emitting fluorescent character with a wide spectral range from visible to near infrared region. In the present work, the spectral properties of BODIPY dyes were analyzed using ab intio and density functional theory methods. The ground and excited state geometries of BODIPY and its substituted analogues in chloroform medium, were optimized using the density functional theory (DFT) and singly excited configuration interaction (CIS) methods. Based on the ground and excited state geometries, the absorption and emission spectra have been calculated using time-dependent density functional theory (TDDFT) method. The TDDFT calculations have been performed using hybrid exchange correlation functionals B3LYP and M06-HF and long-range separated functionals LC-BLYP, LC-BOP, LC-PBE, LC-PBE0 and CAM-B3LYP. The solvent phase calculations were carried out using polarizable continuum model (PCM). The TDDFT investigation reveals that the substitution of acceptor, donor-donor, donor-acceptor-donor and phenyl group in BODIPY dye influence the absorption and emission spectra significantly.

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

    PubMed

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

    2014-10-15

    We describe here the effects of aprotic solvents on the spectroscopic characteristics of bixin. Bixin was dissolved in dimethyl sulfoxide, acetone, dichloromethane, ethyl acetate, chloroform, dimethyl carbonate, cyclohexane and hexane, separately, and its spectra in the resulting solutions were determined by UV-visible spectrophotometry at normal pressure and room temperature. We analyzed the effect of aprotic solvents on λmax according to Onsager cavity model and Hansen theory, and determined the approximate absorption coefficient with the Beer-Lambert law. We found that the UV-visible absorption spectra of bixin were found to be solvent dependent. The S0→S2 transition energy of bixin in solution was dependent principally on the refractive index of the solvents and the bixin-solvent dispersion interaction. There was a small influence of the solvents dielectric constant, permanent dipole interaction and hydrogen bonding occurred between bixin and solvents. The absorbance of bixin in various solvents, with the exception of hexane, increased linearly with concentration. PMID:24840486

  11. Multi-state extrapolation of UV/Vis absorption spectra with QM/QM hybrid methods

    NASA Astrophysics Data System (ADS)

    Ren, Sijin; Caricato, Marco

    2016-05-01

    In this work, we present a simple approach to simulate absorption spectra from hybrid QM/QM calculations. The goal is to obtain reliable spectra for compounds that are too large to be treated efficiently at a high level of theory. The present 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.

  12. Multi-state extrapolation of UV/Vis absorption spectra with QM/QM hybrid methods.

    PubMed

    Ren, Sijin; Caricato, Marco

    2016-05-14

    In this work, we present a simple approach to simulate absorption spectra from hybrid QM/QM calculations. The goal is to obtain reliable spectra for compounds that are too large to be treated efficiently at a high level of theory. The present 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. PMID:27179466

  13. Absorption and spectra of optical parameters in amorphous solid solutions of the Se-S system

    SciTech Connect

    Djalilov, N. Z.; Damirov, G. M.

    2011-04-15

    A study of the optical properties of the Se-S system has revealed a correlation between the dependences of optical absorption coefficient {alpha}, effective concentration of charged defects N{sub t}, and characteristic energy E{sub 0} corresponding to the Urbach optical absorption in the spectral region where the Urbach rule works for the Se-S system on the S concentration. These optical properties are controlled by charged defects. It is shown that concentrations of intrinsic charged defects can be changed by variation in composition of the Se-S system. Reflectance spectra of amorphous solid solutions of the Se-S system are studied within the energy range 1-6 eV. Using the Kramers-Kronig method, spectral dependences of optical constants and derivative optical and dielectric functions are calculated. Variation in the spectra of optical parameters with composition of the Se-S system are explained within a cluster model in which the density of electron states is a function of atomic configurations in clusters, i.e., of the character of a short-range order.

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

    NASA Astrophysics Data System (ADS)

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

    2014-10-01

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

  15. Optimal extraction of quasar Lyman limit absorption systems from the IUE archive

    NASA Technical Reports Server (NTRS)

    Tytler, David

    1992-01-01

    The IUE archive contains a wealth of information on Lyman limit absorption systems (LLS) in quasar spectra. QSO spectra from the IUE data base were optimally extracted, coadded, and analyzed to yield a homogeneous samples of LLS at low red shifts. This sample comprise 36 LLS, twice the number previously analyzed low z samples. These systems are ideal for the determination of the origin, redshift evolution, ionization, velocity dispersions and the metal abundances of absorption systems. Two of them are also excellent targets for the primordial Deuterium to Hydrogen ratio.

  16. Infrared absorption spectra of a Nd0.5Ho0.5Fe3(BO3)4 crystal

    NASA Astrophysics Data System (ADS)

    Gerasimova, Yu. V.; Sofronova, S. N.; Gudim, I. A.; Oreshonkov, A. S.; Vtyurin, A. N.; Ivanenko, A. A.

    2016-01-01

    Infrared absorption spectra of a Nd0.5Ho0.5Fe3(BO3)4 crystal in the spectral range of 30-1700 cm-1 have been measured at temperatures from 6 to 300 K. The experimental spectra have been analyzed based on the semiempirical calculation of the lattice dynamics and the analysis of correlation diagrams of borate complexes. No changes associated with structural phase transitions have been detected in the temperature range of measurements; the effect of magnetic ordering on the infrared absorption spectra has not been observed.

  17. 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. PMID:20643051

  18. Exciton-Like Behavior in Low-Energy Absorption Spectra of Simple Alloys

    NASA Astrophysics Data System (ADS)

    Bakshi, Mira Hemendraray

    The valence excitation (ns('2) (--->) nsnp) spectra of Mg, Zn, and Ca impurities at various concentrations in Li have been measured. Polarization modulation ellipsometry was used to determine the impurity-induced changes in real and imaginary parts of the dielectric function simultaneously, together with the differential reflectivity, in the energy range 1.5 - 4.5 eV. The most important result at sufficiently dilute alloy compositions, is that the system investigated display a distinct absorption peak above the Drude background. The height of this peak varies linearly with impurity content. The impurity-specific character of these spectral features points to exciton-like behavior at low-energy, arising from atomic-like excitations in which the electron and the hole linger together at the impurity site. Existing theories of alloy spectra do not explain these effects, because they do not include the Coulomb correlations between the interacting quasiparticles created in the optical event, or the way in which the interacting pair is confined to the impurity site by the mutual field. A remarkable added result of this research is that the exciton-like behavior can be followed with increasing impurity content, all the way to the pure Mg response, when it becomes the interband transition. This has led Kunz and Flynn to reformulate the theory of optical absorption including excited state interactions; and to apply the theory to the spectrum of pure Mg. The Coulomb interaction causes striking effects which are in generally good agreement with experiment. Zn-Li alloys behave differently. At an alloy composition for which Zn-Zn interactions become prevalent, the local, impurity-specific character of the spectrum disappears, leaving only a featureless Drude-like absorption. These results have provoked cluster calculations by Boisvert and Kunz, which predict the spectral shifts, and exhibit qualitatively similar persistence for Mg-Li, and broadening for Zn-Li.

  19. Orthogonal spectra and cross sections: Application to optimization of multi-spectral absorption and fluorescence lidar

    SciTech Connect

    Shokair, I.R.

    1997-09-01

    This report addresses the problem of selection of lidar parameters, namely wavelengths for absorption lidar and excitation fluorescence pairs for fluorescence lidar, for optimal detection of species. Orthogonal spectra and cross sections are used as mathematical representations which provide a quantitative measure of species distinguishability in mixtures. Using these quantities, a simple expression for the absolute error in calculated species concentration is derived and optimization is accomplished by variation of lidar parameters to minimize this error. It is shown that the optimum number of wavelengths for detection of a species using absorption lidar (excitation fluorescence pairs for fluorescence lidar) is the same as the number of species in the mixture. Each species present in the mixture has its own set of optimum wavelengths. There is usually some overlap in these sets. The optimization method is applied to two examples, one using absorption and the other using fluorescence lidar, for analyzing mixtures of four organic compounds. The effect of atmospheric attenuation is included in the optimization process. Although the number of optimum wavelengths might be small, it is essential to do large numbers of measurements at these wavelengths in order to maximize canceling of statistical errors.

  20. [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. PMID:25881446

  1. 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.

  2. Phase speed spectra of transient eddy fluxes and critical layer absorption

    NASA Technical Reports Server (NTRS)

    Randel, William J.; Held, Isaac M.

    1991-01-01

    Tropospheric zonal mean eddy fluxes of heat and momentum, and the divergence of the Eliassen-Palm flux, are decomposed into contributions from different zonal phase speeds. Data analyzed are the European Center for Medium Range Weather Forecasts operational global analyses covering 1980-1987. Eastward moving medium-scale waves (zonal waves 4-7) dominate the spectra of lower tropospheric heat fluxes in both hemispheres and all seasons. Upper tropospheric wave flux spectra are similar to the low level spectra in midlatitudes, but shift to slower zonal phase speeds as low latitudes are approached. The cause of this shift is the selective absorption of faster moving components in midlatitudes as the waves propagate meridionally. Latitude-phase speed distributions of eddy fluxes are constructed and compared to the zonal mean wind structure. These results demonstrate that upper tropospheric eddies break and decelerate the zonal mean flow approximately 10-20 deg in latitude away from their critical line (where phase speed equals zonal wind speed). Comparisons are also made with results from the middle stratosphere.

  3. Shape of the absorption and fluorescence spectra of condensed phases and transition energies.

    PubMed

    Lagos, Miguel; Paredes, Rodrigo

    2014-11-13

    General integral expressions for the temperature-dependent profile of the spectral lines of photon absorption and emission by atomic or molecular species in a condensed environment are derived with no other hypothesis than: (a) The acoustic vibrational modes of the condensed host medium constitute the thermodynamic energy reservoir at a given constant temperature, and local electronic transitions modifying the equilibrium configuration of the surroundings are multiphonon events, regardless of the magnitude of the transition energy. (b) Electron-phonon coupling is linear in the variations of the bond length. The purpose is to develop a theoretical tool for the analysis of the spectra, allowing us to grasp highly accurate information from fitting the theoretical line shape function to experiment, including those spectra displaying wide features. The method is illustrated by applying it to two dyes, Lucifer Yellow CH and Coumarin 1, which display fluorescence maxima of 0.41 and 0.51 eV fwhm. Fitting the theoretical curves to the spectra indicates that the neat excitation energies are 2.58 eV ± 2.5% and 3.00 eV ± 2.0%, respectively. PMID:25321927

  4. Stratospheric N2O mixing ratio profile from high-resolution balloon-borne solar absorption spectra and laboratory spectra near 1880/cm

    NASA Technical Reports Server (NTRS)

    Rinsland, C. P.; Goldman, A.; Murcray, F. J.; Murcray, D. G.; Smith, M. A. H.; Seals, R. K., Jr.; Larsen, J. C.; Rinsland, P. L.

    1982-01-01

    A nonlinear least-squares fitting procedure is used to derive the stratospheric N2O mixing ratio profile from balloon-borne solar absorption spectra and laboratory spectra near 1880/cm. The atmospheric spectra analyzed here were recorded during sunset from a float altitude of 33 km with the University of Denver's 0.02/cm resolution interferometer near Alamogordo, N.M. (33 deg N) on Oct. 10, 1979. The laboratory data are used to determine the N2O line intensities. The measurements suggest an N2O mixing ratio of 264 ppbv near 15 km, decreasing to 155 ppbv near 28 km.

  5. Absorption-Mode Fourier Transform Mass Spectrometry: The Effects of Apodization and Phasing on Modified Protein Spectra

    NASA Astrophysics Data System (ADS)

    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.

  6. Absorption-Mode Fourier Transform Mass Spectrometry: the Effects of Apodization and Phasing on Modified Protein Spectra

    PubMed Central

    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.

    2014-01-01

    The method of phasing broadband 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. PMID:23568027

  7. Polarized electronic absorption spectra of Cr2SiO4 single crystals

    NASA Astrophysics Data System (ADS)

    Furche, A.; Langer, K.

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

  8. Theory and interpretation of L-shell X-ray absorption spectra

    NASA Astrophysics Data System (ADS)

    Nesvizhskii, Alexey I.

    X-ray absorption near edge structure (XANES) directly reflects the electronic structure in a material. However, despite significant progress in XANES theory, the quantitative analysis of XANES is not fully developed and remains a challenge. In this work, a detailed analysis of the L2,3 edge XANES in transition metals was performed using relativistic, self-consistent real space Green's function code FEFFS. Several prescriptions for taking into account core hole in calculations of x-ray absorption spectra (XAS) were discussed. It was found that in most cases of L2,3 edge XANES in transition metals, the initial state (ground state) calculations were in the best agreement with experimental data. A procedure was developed for quantitative applications of the sum rules for XAS, e.g., for x-ray magnetic circular dichroism and for obtaining hole counts. The approach is based on theoretical atomic calculations of transformations relating various experimental spectra to corresponding operator-spectral densities. This approach overcomes the difficulties of background subtraction and hole-count normalization of other sum rule analysis methods and yields quantitative values for spin- and orbital-moments from experimental absorption spectra. The developed approach was theoretically tested and applied to experimental XAS data in Cu, Ni, Co, Fe, and other materials. Hole counts obtained from XAS are often interpreted in terms of free-atom occupation numbers or Mulliken counts. We demonstrated that renormalized-atom (RA) counts are a better choice to characterize the configuration of occupied electron states in molecules and condensed matter. A projection-operator approach was introduced to subtract delocalized states and to determine such hole counts from XAS quantitatively. Theoretical tests for the s- and d-electrons in transition metals showed that the approach works well. A formalism was developed based on time dependent local density approximation (TDLDA) theory that takes

  9. 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.

  10. 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.

  11. 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

  12. Optical absorption spectra and energy levels of Er3+ ions in glassy lithium tetraborate matrix

    NASA Astrophysics Data System (ADS)

    Danilyuk, P. S.; Popovich, K. P.; Puga, P. P.; Gomonai, A. I.; Primak, N. V.; Krasilinets, V. N.; Turok, I. I.; Puga, G. D.; Rizak, V. M.

    2014-11-01

    The optical absorption spectra of Er:Li2B4O7 glasses are studied in the range 200-800 nm. The lines corresponding to the direct f-f parity-forbidden intraconfigurational transitions from the ground 4 I 15/2 state to the levels of the excited 4 F 9/2, 4 S 3/2, 2 H 9/2, 2 H 11/2, 4 F 7/2, 4 F 5/2, 4 F 3/2, 2 H 9/2, 4 G 11/2, 4 D 3/2, 4 D 1/2, and 2 D 3/2 states are found.

  13. Electrochromism in the near-infrared absorption spectra of bridged ruthenium mixed-valence complexes

    SciTech Connect

    Oh, D.H.; Boxer, S.G. )

    1990-10-24

    Many experimental and theoretical approaches have been developed to characterize the chemical and physical properties of mixed-valence complexes. These molecules may possess metals in differing oxidation states which participate in intervalence charge-transfer transitions. In principle, these transitions should be strongly affected by an external electric field. Such electrochromism can provide a direct and sensitive approach to investigating the electronic properties of molecules. The authors report the first measurements of the effects of an externally applied electric field on the near-infrared absorption spectra of ((NH{sub 3}){sub 5}Ru){sub 2}L{sup 5+} (L = pyrazine or 4,4{prime}-bipyridine). Significant differences are observed between the two complexes, illustrating the range of electronic interactions between the metal centers.

  14. 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.

  15. Absorption and luminescence excitation spectra of ClF in the Vac UV region

    NASA Astrophysics Data System (ADS)

    Alekseev, Vadim A.; Schwentner, Nikolaus

    2010-07-01

    Absorption and luminescence excitation spectra of ClF are recorded in the vacuum ultraviolet employing synchrotron radiation. A broad band (120-130 nm) due to transition to the ion-pair state E(0 +) and sparse transitions to Rydberg states are observed. All Rydberg states are predissociated and their excitation yields no luminescence. Perturbations by the 4 sσ1Π 1 and 4p π1Σ + Rydberg states result in characteristic dips in the E(0 +) state luminescence excitation spectrum. Excitation above the Cl∗ + F dissociation threshold results in luminescence from ion-pair states of ClF or Cl 2 populated in reaction of Cl∗ with ClF or Cl 2.

  16. Optical absorption and energy-loss spectra of aligned carbon nanotubes

    NASA Astrophysics Data System (ADS)

    García-Vidal, F. J.; Pitarke, J. M.

    2001-07-01

    Optical-absorption cross-sections and energy-loss spectra of aligned multishell carbon nanotubes are investigated, on the basis of photonic band-structure calculations. A local graphite-like dielectric tensor is assigned to every point of the tubules, and the effective transverse dielectric function of the composite is computed by solving Maxwell's equations in media with tensor-like dielectric functions. A Maxwell-Garnett-like approach appropriate to the case of infinitely long anisotropic tubules is also developed. Our full calculations indicate that the experimentally measured macroscopic dielectric function of carbon nanotube materials is the result of a strong electromagnetic coupling between the tubes. An analysis of the electric-field pattern associated with this coupling is presented, showing that in the close-packed regime the incident radiation excites a very localized tangential surface plasmon.

  17. 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.

  18. 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.

  19. The Dust-to-Gas Ratio in the Damped Ly alpha Clouds Towards the Gravitationally Lensed QSO 0957+561

    NASA Technical Reports Server (NTRS)

    Zuo, Lin; Beaver, E. A.; Burbidge, E. Margaret; Cohen, Ross D.; Junkkarinen, Vesa T.; Lyons, R. W.

    1997-01-01

    We present HST/FOS spectra of the two bright images (A and B) of the gravitationally lensed QSO 0957+561 in the wavelength range 2200-3300 A. We find that the absorption system (Z(sub abs)) = 1.3911) near z(sub em) is a weak, damped Ly alpha system with strong Ly alpha absorption lines seen in both images. However, the H(I) column densities are different, with the line of sight to image A intersecting a larger column density. The continuum shapes of the two spectra differ in the sense that the flux level of image A increases more slowly toward shorter wavelengths than that of image B. We explain this as the result of differential reddening by dust grains in the damped Ly alpha absorber. A direct outcome of this explanation is a determination of the dust-to-gas ratio, k, in the damped Ly alpha system. We derive k = 0.55 + 0.18 for a simple 1/lambda extinction law and k = 0.31 + 0.10 for the Galactic extinction curve. For gravitationally lensed systems with damped Ly alpha absorbers, our method is a powerful tool for determining the values and dispersion of k, and the shapes of extinction curves, especially in the FUV and EUV regions. We compare our results with previous work.

  20. 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.

  1. Ab initio optical absorption spectra of size-expanded xDNA base assemblies.

    PubMed

    Varsano, Daniele; Garbesi, Anna; Di Felice, Rosa

    2007-12-20

    We present the results of time-dependent density functional theory calculations of the optical absorption spectra of synthetic nucleobases and of their hydrogen-bonded and stacked base pairs. We focus on size-expanded analogues of the natural nucleobases obtained through the insertion of a benzene ring bonded to the planar heterocycles (x-bases), according to the protocol designed and realized by the group of Eric Kool (e.g., see: Gao, J.; Liu, H.; Kool, E.T. Angew. Chem., Int. Ed. 2005, 44, 3118, and references therein). We find that the modifications of the frontier electron orbitals with respect to natural bases, which are induced by the presence of the aromatic ring, also affect the optical response. In particular, the absorption onset is pinned by the benzene component of the HOMO of each x-base (xA, xG, xT, xC). In addition, the main trait of the H-bonding interbase coupling is a conspicuous red shift of spectral peaks in the low-energy range. Finally, the hypochromicity, a well-known fingerprint of stacking, is more pronounced in stacked xG-C and xA-T pairs than that in stacked G-C and A-T pairs, an index of enhanced stacking. PMID:18034470

  2. Solvent effects on the resonance Raman and electronic absorption spectra of bacteriochlorophyll a cation radical

    SciTech Connect

    Misono, Yasuhito; Itoh, Koichi; Limanatara, Leenawaty; Koyama, Yasushi

    1996-02-08

    Resonance Raman and electronic absorption spectra of bacteriocholrophyll a cation radical (BChl a{sup .+}) were recorded in 14 different kinds of solvents. The frequency of the ring-breathing Raman band of BChl a{sup .+} was in the region of 1596-1599 cm{sup -1} in solvents forming the pentacoordinated state in neutral bacteriochlorophyll a (BChl a), while it was in the region of 1584-1588 cm{sup -1} in solvents forming the hexacoordinated state. BChl a{sup .+} exhibited a key absorption band in the regions 546-554 and 557-563 nm in the above penta- and hexa-coordinating solvents. Therefore, it has been concluded that the penta- and hexa-coordinated states are retained even after conversion of BChl a into BChl a{sup .+} (one-electron oxidization). Application of this rule to the case of 2-propanol solution showed transformation from the penta- to the hexa-coordinated state upon one-electron oxidation in this particular solution. The coordination states of BChl a{sup .+} could be correlated with the donor number(DN) and the Taft parameters, {Beta} and {pi}{sup *}, of the solvent: The hexacoordinated state was formed in solvents with DN >= 18 or {Beta} > 0.5 showing higher electron donating power, while the pentacoordinated state was formed in solvents with {pi}{sup *} > 0.65 showing higher dielectric stabilization. 27 refs., 8 figs., 3 tabs.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. Synthetic Spectra of H Balmer and HE I Absorption Lines. I. Stellar Library

    NASA Astrophysics Data System (ADS)

    González Delgado, Rosa M.; Leitherer, Claus

    1999-12-01

    We present a grid of synthetic profiles of stellar H Balmer and He I lines at optical wavelengths with a sampling of 0.3 Å. The grid spans a range of effective temperature 50,000 K>=Teff>=4000 K, and gravity 0.0<=logg<=5.0 at solar metallicity. For Teff>=25,000 K, non-LTE stellar atmosphere models are computed using the code TLUSTY (Hubeny). For cooler stars, Kurucz LTE models are used to compute the synthetic spectra. The grid includes the profiles of the high-order hydrogen Balmer series and He I lines for effective temperatures and gravities that have not been previously synthesized. The behavior of H8 to H13 and He I λ3819 with effective temperature and gravity is very similar to that of the lower terms of the series (e.g., Hβ) and the other He I lines at longer wavelengths; therefore, they are suited for the determination of the atmospheric parameters of stars. These lines are potentially important to make predictions for these stellar absorption features in galaxies with active star formation. Evolutionary synthesis models of these lines for starburst and poststarburst galaxies are presented in a companion paper. The full set of the synthetic stellar spectra is available for retrieval at our website or on request from the authors.

  8. 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.

  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. Deconvolution of C-phycocyanin beta-84 and beta-155 chromophore absorption and fluorescence spectra of cyanobacterium Mastigocladus laminosus.

    PubMed Central

    Demidov, A A; Mimuro, M

    1995-01-01

    Absorption and fluorescence spectra of the C-phycocyanin beta-subunit were quantitatively deconvoluted into component spectra of the beta-84 and beta-155 chromophores. The deconvolution procedure was based on a theoretical treatment of polarization properties. Four kinds of spectra (absorption, emission, emission polarization, and excitation polarization) measured on C-phycocyanin isolated from the cyanobacterium Mastigocladus laminosus were used as the experimental data set. Without any assumption of spectral shape, the absorption and fluorescence spectra of both chromophores were unambiguously resolved and their fluorescence quantum yields were evaluated. By combining the spectra of the alpha-subunit, independently measured, with the resolved spectra of the beta-subunit, the fluorescence and fluorescence polarization spectra and the fluorescence quantum yield of the monomer were estimated; they agree with experimental values to within an acceptable error. Further, the matrix of energy transfer rates in the monomer was estimated; it gave a significantly different result (by up to 40%) from previously estimated ones. PMID:7787035