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At least 1,315 records · Page 73
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NASA NTRS1999

On Photospheric Fluorescence and the Nature of the 17.62 Angstrom Feature in Solar X-ray Spectra

The identification of the emission line feature at 17.62 Angstroms in solar x-ray spectra is re-examined. Using a Monte Carlo technique, we compute a realistic theoretical upper limit to the observed Fe L-alpha photospheric fluorescent line strength caused by irradiation from an overlying corona. These calculations demonstrate that the photospheric Fe L-alpha characteristic line is much too weak to account for the observed 17.62 Angstrom line flux. Instead, we identify this line with the configuration interaction 2s2p3p2P-2s2p6 2S transition in Fe XVIII seen in Electron Beam Ion Trap spectra and predicted in earlier theoretical work on the Fe XVIII x-ray spectrum.

Drake, Jeremy J.↗
NASA NTRS1987

Quantification of HCl from High Resolution Infrared Solar Spectra Obtained at the South Pole in December 1986

Ground-based infrared solar spectra at 0.02/ cm resolution obtained at the Amundsen-Scott South Pole station in December 1986 have been analysed for the atmospheric content of HCl. Nonlinear least-squares spectral fitting applied to the spectra yields a total HCl column amount of (6.4 +/- 0.8) x 10(exp 15) molec/sq cm, most being stratospheric. This amount is larger than that extrapolated from earlier results on the latitudinal distribution of atmospheric HCl.

Goldman, A.↗
NASA NTRS1984

A Search for Formic Acid in the Upper Troposphere: A Tentative Identification of the 1105-cm(exp -1) nu(sub 6) Band Q Branch in High-Resolution Balloon-Borne Solar Absorption Spectra

Infrared solar absorption spectra recorded at 0.02/cm resolution during a balloon flight from Alamogordo, N.M. (33 deg N), on March 23, 1981, have been analyzed for the possible presence of absorption by formic acid (HCOOH). An absorption feature at 1105/ cm has been tentatively identified in upper tropospheric spectra as due to the nu(sub 6) band Q branch. A preliminary analysis indicates a concentration of approx. = 0.6 ppbv and approx. = 0.4 ppbv near 8 and 10 km, respectively.

Goldman, A.↗
NASA NTRS2000

Mapping Agricultural Crops with AVIRIS Spectra in Washington State

Spectroscopy is used in the laboratory to measure the molecular components and concentrations of plant constituents to answer questions about the plant type, status, and health. Imaging spectrometers measure the upwelling spectral radiance above the Earth's surface as images. Ideally, imaging spectrometer data sets should be used to understand plant type, plant status, and health of plants in an agricultural setting. An Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) data set was acquired over agricultural fields near Wallula, Washington on July 23rd, 1997. AVIRIS measures upwelling radiance spectra through 224 spectral channels with contiguous 10-nm sampling from 400 to 2500 run in the solar-reflected spectrum. The spectra are measured as images of 11 by up to 800 km with 20-m spatial resolution. The spectral images measured by AVIRIS represent the integrated signal resulting from: the solar irradiance; two way transmittance and scattering of the atmosphere; the absorptions and scattering of surface materials; as well as the spectral, radiometric and spatial response functions of AVIRIS. This paper presents initial research to derive properties of the agricultural fields near Wallula from the calibrated spectral images measured by AVIRIS near the top of the atmosphere.

Green, Robert O.↗
NASA NTRS1998

Improved Atmospheric Correction for AVIRIS Spectra from Inland Waters

Remote sensing reflectance (Rrs) cannot be measured directly. Comparison of Rrs calculated from field measurements to Rrs calculated from AVIRIS spectra and the atmospheric radiative transfer model modtran provides a measure of the accuracy of our method. That and other comparisons are presented here as a validation of a method of retrieving Rrs from inland waters from AVIRIS radiance. The method of collecting field measurements for Rrs is described in Hamilton, 1993. Retrieval of Rrs from AVIRIS using modtran was developed from Carder, 1993. AVIRIS radiance is reduced by the path radiance modeled by modtran and divided by one-way transmission. Skylight, modeled by modtran, specularly reflected from the lake surface, is then subtracted from this radiance, leaving only that radiance which has come from under water. This water-leaving radiance is then normalized by the downwelling irradiance incident at the surface as modeled by modtran. Our improved retrieval of Rrs has allowed us to fit a single curve to a set of 134 pairs of AVIRIS Rrs and measured chlorophyll gathered on eight experiments at Mono Lake. Previously, spectra from different surveys varied more due to lingering atmospheric effects and/or radiometric calibration imprecision than they varied due to chlorophyll.

Gastil, Mary↗
NASA NTRS1998

Mapping Agricultural Crops with AVIRIS Spectra in Washington State

Spectroscopy is used in the laboratory to measure the molecular components and concentrations of plant constituents to answer questions about the plant type, status, and health. Imaging spectrometers measure the upwelling spectral radiance above the Earth's surface as images. Ideally, imaging spectrometer data sets should be used to understand plant type, plant status, and health of plants in an agricultural setting. An Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) data set was acquired over agricultural fields near Wallula, Washington on July 23rd, 1997. AVIRIS measures upwelling radiance spectra through 224 spectral channels with contiguous 10-nm sampling from 400 to 2500 nm in the solar-reflected spectrum. The spectra are measured as images of 11 by up to 800 km with 20-m spatial resolution. The spectral images measured by AVIRIS represent the integrated signal resulting from: the solar irradiance; two way transmittance and scattering of the atmosphere; the absorptions and scattering of surface materials; as well as the spectral, radiometric and spatial response functions of AVIRIS. This paper presents initial research to derive properties of the agricultural fields near Wallula from the calibrated spectral images measured by AVIRIS near the top of the atmosphere.

Green, Robert↗
NASA NTRS1995

Spectral Irradiance Calibration in the Infrared: 1.2-35um Spectra of Six Standard Stars - 4

We present five new absolutely calibrated continuous stellar spectra from 1.2 to 35 microns, constructed as far as possible from actual observed spectral fragments taken from the ground, the Kuiper Airborne Observatory (KAO), and the IRAS Low Resolution Spectrometer (LRS). These stars, Beta Peg, Delta Boo, Beta And, Beta Gem, and Delta Hya, augment our already created complete absolutely calibrated spectrum for a Tau. All these spectra have a common calibration pedigree. The wavelength coverage is ideal for calibration of many existing and proposed ground-based, airborne, and satellite sensors.

Cohen, Martin↗
NASA NTRS1994

Application of Coupled-Cluster Methods to the Prediction and Interpretation of the Spectra of Molecules of Interest in Atmospheric Chemistry

The quality of fundamental vibrational frequencies determined using the CCSD(T) method (singles and doubles coupled-cluster theory plus a perturbational estimate of the effects of connected triple excitations) is shown to be very good, usually predicting band centers to within +/-8/cm. This approach is applied to several molecules of interest in atmospheric chemistry, including HNO, NO2(+), H2CO, and HOCl. The HNO molecule displays a large and unusual anharmonicity in the H-N stretch. For the calculation of ultraviolet (UV) spectra, the linear response CCSD (LRCCSD) approach (which is equivalent to EOM-CCSD) has been shown to yield vertical excitation energies that are accurate to approximately 0.1 eV for singly excited electronic states. This method together with more approximate methods is used to examine the UV spectra of several molecules important in stratospheric chemistry, including HOCl, Cl2O, ClOOCl, ClOOH, and HOOH.

Lee, Timothy J.↗
NASA NTRS2001

Preliminary Results from the First Flight of ATIC: Z>8 Spectra

The Advanced Thin Ionization Calorimeter (ATIC) is designed to measure individual spectra from protons to Fe for energies from 10 GeV to near 100 Tev. Preliminary results will be presented 8 less than Z less than or equal to 26 spectra from the maiden flight of ATIC in Antarctica that acquired 360 hours of data.

Adams, J. H.↗
NASA NTRS2000

Infrared Spectra of Polycyclic Aromatic Hydrocarbons (PAHs)

We have computed the synthetic infrared spectra of some polycyclic aromatic hydrocarbons containing up to 54 carbon atoms. The species studied include ovalene, circumcoronene, dicoronylene, and hexabenzocoronene. We report spectra for anions, neutrals, cations, and multiply charged cations.

Bauschlicher, Charles W., Jr.↗
NASA NTRS2001

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

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.

Miller, Richard L.↗
NASA NTRS2001

Preliminary Results From the First Flight of ATIC: Z Greater Than 8 Spectra

The Advanced Thin Ionization Calorimeter (ATIC) is designed to measure individual elemental spectra from protons to Fe for energies from 10 GeV to near 100 TeV. Preliminary results are presented for Z between 8 and 26 spectra from the maiden flight of ATIC in Antarctica that acquired 360 hours of data.

Adams, James H., Jr.↗
NASA NTRS1995

Theoretical Infrared Spectra for Polycyclic Aromatic Hydrocarbon Neutrals, Cations and Anions

Calculations are carried out using density functional theory (DFT) to determine the harmonic frequencies and intensities of the neutrals and cations of thirteen polycyclic aromatic hydrocarbons (PAHs) up to the size of ovalene. Calculations are also carried out for a few PAH anions. The DFT harmonic frequencies, when uniformly scaled by the factor of 0.958 to account primarily for anharmonicity, agree with the matrix isolation fundamentals to within an average error of about 10 per centimeter. Electron correlation is found to significantly reduce the intensities of many of the cation harmonics, bringing them into much better agreement with the available experimental data. While the theoretical infrared spectra agree well with the experimental data for the neutral systems and for many of the cations, there are notable discrepancies with the experimental matrix isolation data for some PAH cations that are difficult to explain in terms of limitations in the calculations. In agreement with previous theoretical work, the present calculations show that the relative intensities for the astronomical unidentified infrared (UIR) bands agree reasonably well with those for a distribution of polycyclic aromatic hydrocarbon (PAH) cations, but not with a distribution of PAH neutrals. We also observe that the infrared spectra of highly symmetrical cations such as coronene agree much better with astronomical observations than do those of, for example, the polyacenes such as tetracene and pentacene. The total integrated intensities for the neutral species are found to increase linearly with size, while the total integrated intensities are much larger for the cations and scale more nearly quadratically with size. We conclude that emission from moderate-sized highly symmetric PAH cations such as coronene and larger could account for the UIR bands.

Langhoff, Stephen R.↗
NASA NTRS1996

On the Photoelectron Spectra of Li4

The most stable structure for Li4(-) is found to be the rhombus. Electron detachment from this structure does not seem able to fully explain the photoelectron spectra. The computed results are consistent with those Rao, Jena, and Ray who have proposed that the experimental spectra consists of a superposition of detachment from the Li4(-) rhombus and tetrahedron, forming the singlet and triplet states of Li4, respectively.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1997

Infrared Spectra of Substituted Polycyclic Aromatic Hydrocarbons

Calculations are carried out using density functional theory (DFT) to determine the harmonic frequencies and intensities of 1-methylanthracene, 9-methylanthracene, 9-cyanoanthracene, 2-aminoanthracene, acridine, and their positive ions. The theoretical data are compared with matrix-isolation spectra for these species also reported in this work. The theoretical and experimental frequencies and relative intensities for the neutral species are in generally good agreement, whereas the positive ion spectra are only in qualitative agreement. Relative to anthracene, we find that substitution of amethyl or CN for a hydrogen does not significantly affect the spectrum other than to add the characteristic methyl C-H stretch and C-N stretch (near 2200/cm), respectively. However, addition of NH2 dramatically affects the spectrum of the neutral. Not only are the NH2 modes themselves strong, but this electron withdrawing group induces sufficient partial charge on the ring to give the neutral molecule characteristics of the anthracene cation spectrum. The sum of the absolute intensities is about four times larger for 2-aminoanthracene than for 9-cyanoanthracene. Substituting nitrogen in the ring at the nine position (acridine) does not greatly alter the spectrum compared with anthracene.

Bauschlicher, Charles W., Jr.↗
NASA NTRS2002

Theoretical Study of Infrared and Raman Spectra of Hydrated Magnesium Sulfate Salts

Harmonic and anharmonic vibrational frequencies, as well as infrared and Raman intensities, are calculated for MgSO4.nH20 (n=1-3). Electronic structure theory at the second order Moller-Plesset perturbation theory (MP2) level with a triple-zeta + polarization (TZP) basis set is used to determine the geometry, properties, and vibrational spectra of pure and hydrated MgSO4 salts. The direct vibrational self-consistent field (VSCF) method and its correlation corrected (CC-VSCF) extension are used to determine anharmonic corrections to vibrational frequencies and intensities for the pure MgSO4 and its complex with one water molecule. Very significant differences are found between vibrational of water molecules in complexes with MgSO4 and pure water. Some of the O-H stretching frequencies are shifted to the red very significantly (by up to 1500-2000/cm) upon complexation with magnesium sulfate. They should be observed between 1700 and 3000/cm in a region very different from the corresponding O-H stretch frequency region of pure water (3700-3800/cm). In addition, the SO2 stretching vibrations are found at lower frequency regions than the water vibrations. They can serve as unique identifiers for the presence of sulfate salts. The predicted infrared and Raman spectra should be of valuable help in the design of future missions and analysis of observed data from the ice surface of Jupiter's moon Europa that possibly contains hydrated MgSO4 salts.

Chaban, Galina M.↗
NASA NTRS2002

NASA Fuse Cycle 1 Program A100. FUV Spectra of Evolved Late-K and M Stars: Mass Loss revisited and Stellar Activity

Program A100 was awarded 50 ksec of FUSE observing time. Targets alpha TrA (K3 II) and gamma Cru (N13 III) were originally assigned 25 ksec each, to be observed in the medium aperture. Once the in-flight performance and telescope alignment problems were known, the observations were reprogrammed to optimized the scientific return of the program. alpha TrA was scheduled for 25 ksec observations in both the medium and large apertures. The principle aim of this program was to measure the stellar FUV line and continuum emission, in order to estimate the photoionization radiation field and to determine the level of stellar activity through the fluxes in the collisionally excited high temperature diagnostics: C III 977A and O VI 1032,1038A doublet. The medium aperture observations were obtained successfully while the large aperture observations were thought by Johns Hopkins University (JHU)to be lost to satellite problems. There was insufficient signal-to noise in the medium aperture short wavelength SiC channels to do quantitative science. The long wavelength LiF spectra are of high signal-to-noise (SN) and show pronounced emission lines near lambdalambda1100 - 1140A. Emission had been observed at these wavelength in low resolution and low SN ORFEUS-SPAS 11 spectra obtained by Dupree & Brickhouse (1998 ApJ 500, L33), however, they were unable to identify these features. One of the first problems faced in the early FUSE mission was establishing a reliable wavelength scale, especially between the different channels. With the medium aperture data in hand we decided to identify the features and thereby establish an absolute wavelength scale for the channels where the emission occurred. We first established that the emission was fluorescent. and then we constructed a fluorescent line formation model for all neutrals. and singly ionized species with atomic numbers up to 28, and the H2 molecule. We used datasets of radiative rates and energy levels which were as complete as possible and available in an electronic format (millions of transitions). We found that most, but not all, emission was from Fe II pumped by H Lyalpha. This is not typical fluorescence, since the emission is shortward of the pumping transitions near 1215.6A.

Harper, Graham M.↗
NASA NTRS2002

Electronic Absorption Spectra of Neutral Perylene (C20H12), Terrylene (C30H16), and Quaterrylene (C40H20) and their Positive and Negative Ions: Ne Matrix-Isolation Spectroscopy and Time Dependent Density Functional Theory Calculations

We present a full experimental and theoretical study of an interesting series of polycyclic aromatic hydrocarbons, the oligorylenes. The absorption spectra of perylene, terrylene and quaterrylene in neutral, cationic and anionic charge states are obtained by matrix-isolation spectroscopy in Ne. The experimental spectra are dominated by a bright state that red shifts with growing molecular size. Excitation energies and state symmetry assignments are supported by calculations using time dependent density functional theory methods. These calculations also provide new insight into the observed trends in oscillator strength and excitation energy for the bright states: the oscillator strength per unit mass of carbon increases along the series.

Halasinski, Thomas M.↗