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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Determination of Spectroscopic Properties of Atmospheric Molecules from High Resolution Vacuum Ultraviolet Cross Section and Wavelength Measurements

We have studied the spectroscopy and the cross sections of the simple molecules of atmospheric interest such as oxygen, nitric oxide, carbon dioxide, and water. We have made cross section measurements on an absolute base without the effects from the limited instrumental resolution. We have used the following different instruments- the grating spectrometer (6.65-m at CfA, 3-m at Photon Factory), VUV Fourier transform spectrometer at Imperial College, and then moved the same one to the Photon Factory. Selection of the instruments depend on the appearance of molecular bands, and their wavelength region. For example, the cross section measurements of Doppler limited bands can been done with the Fourier transform spectrometer at the very high resolution (0.025/ cm resolution). All of these spectroscopic measurements are needed for accurate calculations of the production of atomic oxygen penetration of solar radiation into the Earth's atmosphere, and photochemistry of minor molecules.

Parkinson, W. H.↗
DOE OSTI2020

Coupled cluster spectroscopic properties of the coinage metal nitrosyls, M–NO (M = Cu, Ag, Au)

Ab initio near-equilibrium potential energy and dipole moment surfaces for the bent CuNO, AgNO, and AuNO molecules have been calculated under the Feller-Peterson-Dixon (FPD) composite framework at the coupled cluster level of theory including complete basis set extrapolation, outer-core correlation, scalar relativistic effects, and spin-orbit coupling. The Brueckner coupled cluster doubles with perturbative triples method, BCCD(T), was used to greatly improve upon CCSD(T), which was particularly problematic for CuNO. In the latter case the BCCD(T) vibrational frequencies showed significant differences compared to CCSD(T), e.g., nearly 65 cm -1 for the NO stretching frequency, and BCCD(T) also resulted in much better agreement with the available experimental frequencies. A full range of ro-vibrational spectroscopic constants are given for all three molecules of this study using the accurate composite potential energy functions and employing 2nd-order vibrational perturbation theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Determination of spectroscopic properties of atmospheric molecules from high resolution vacuum ultraviolet cross section and wavelength measurements

An account is given of progress during the six-month period 1 Nov. 1992 to 30 Apr. 1993 on work on (1) cross section measurements of the Schumann-Runge continuum; (2) the determination of the predissociation linewidths of the Schumann-Runge bands of O2; (3) the determination of the molecular constants of the ground state of O2; (4) cross section measurements of CO2 in wavelength region 120-170 nm; and (4) determination of dissociation energy of O2. The experimental investigations are effected at high resolution with a 6.65 m scanning spectrometer which is, by virtue of its small instrumental width (FWHM = 0.0013 nm), uniquely suitable for cross section measurements of molecular bands with discrete rotational structure. Below 175 nm and in the region of the S-R continuum, synchrotron radiation is suitable for cross section measurements. All of these spectroscopic measurements are needed for accurate calculations of the production of atomic oxygen and penetration of solar radiation into the Earth's atmosphere.

Parkinson, W. H.↗
NASA NTRS1997

Determination of Spectroscopic Properties of Atmospheric Molecules from High Resolution Vacuum Ultraviolet Cross Section and Wavelength Measurements

An account is given of progress during the period 8/l/96-7/31/97 on work on (a) cross section measurements of O2 S-R using a Fourier transform spectrometer (FTS) at the Photon Factory in Japan; (b) the determination of the predissociation linewidths of the Schumann-Runge bands (S-R) of 02; (c) cross section measurements of 02 Herzberg bands using a Fourier transform spectrometer (FTS) at Imperial College; and (d) cross section measurements of H2O in the wavelength region 120-188 nm. The experimental investigations are effected at high resolution with a 6.65 m scanning spectrometer and with the Fourier transform spectrometer. Below 175 nm, synchrotron radiation is most suitable for cross section measurements in combination with spectrometers at the Photon Factory Japan. Cross section measurements of the Doppler limited bands depend on using the very high resolution, available with the Fourier transform spectrometer, (0.025/cm resolution). All of these spectroscopic measurements are needed for accurate calculations of the production of atomic oxygen, the penetration of solar radiation into the Earth's atmosphere, and photochemistry of minor molecules.

Parkinson, W. H.↗
NASA NTRS1999

Spectroscopic Properties of Metamorphosed Mafic Rocks: Remote Sensing Applications on Mars

Reflectance spectroscopy in the visible and near-infrared wavelengths, between 420 mn to 2588 nm. was utilized on a suite of hydrothermally metamorphosed mafic rocks from the Smartville complex in the northern Sierra Nevada mountains in California. A detailed data base of 102 samples was compiled in order to distinguish differences in mineralogy, petrology, and degree of metamorphism for remote sensing applications. Study was limited to metaigneous and metasedimentary rocks in an attempt to spectrally characterize terrestrial rocks analogous to the possible surface of Mars, for a better understanding and possible detection of the geologic features on the remote surface. Diagnostic absorption bands of iron, water, and hydroxyl produced the majority of discernible features in this study. Mossbauer spectroscopy was performed in order to determine specific iron sites. The resulting spectral data base along with thin section mineral identification, metamorphic zone, rock type and location were recorded and available for future application and research. Continued exploration of Mars in the advancing years, will further advance our understanding of the geology of Mars. Spectroscopic techniques will undoubtedly be integral parts of these future missions. Work on terrestrial analogs to the Martian surface must continue, in order to produce extensive data bases and broaden our knowledge of spectral features.

Graff, Trevor G.↗
DOE OSTI2025

Spectroscopic Properties of Americium(III) in Mineral Acid Media

We report the preparation and optical characterization of three solutions of Am(III) in common aqueous (aq.) mineral acids (HCl, HNO 3 and HBr), including absorption, emission, and Raman vibrational analyses. To our knowledge, this study provides the first detailed absorption spectra of Am(III) spanning the entire UV/Vis/NIR region in these mineral acids reported since the 1960s. Here, using this high-resolution absorption data, provided in an open access format for the broader field, we build on prior work by Carnall and others to provide detailed optical analysis including all transition assignments. This work also includes the first reported absorption spectrum of Am(III) in aq. HBr. Characteristic Am(III) luminescence could be detected from all three samples. These are the first reports of emission from Am(III) in these acid systems, which build on prior emission reports collected from aq. HClO 4 solutions. The acquired emission spectra display anion-dependent shifting of the visible-region transitions by up to 21 nm from their predicted positions, akin to the nephelauxetic effect. The shift magnitude trends linearly according to the acid p K a and more generally according to the transition metal spectrochemical series. These ligand field effects, coupled with luminescence lifetime experiments, indicate that weak Am-X interactions persist in solution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure

A new polymorph of 1,3-diacetylpyrene has been obtained from its melt and thoroughly characterized using single-crystal X-ray diffraction, steady-state UV–Vis spectroscopy and periodic density functional theory calculations. Experimental studies covered the temperature range from 90 to 390 K and the pressure range from atmospheric to 4.08 GPa. Optimal sample placement in a diamond anvil cell according to our previously presented methodology ensured over 80% data coverage up to 0.8 Å for a monoclinic sample. Unrestrained Hirshfeld atom refinement of the high-pressure crystal structures was successful and anharmonic behavior of carbonyl oxygen atoms was observed. Unlike the previously characterized polymorph, the structure of 2°AP-β is based on infinite π-stacks of antiparallel 2°AP molecules. 2°AP-β displays piezochromism and piezofluorochromism which are directly related to the variation in interplanar distances within the π-stacking. The importance of weak intermolecular interactions is reflected in the substantial negative thermal expansion coefficient of -55.8 (57) MK -1 in the direction of C—H∙∙∙O interactions.

36 MATERIALS SCIENCE↗
NASA NTRS1987

DC electrical, thermal, and spectroscopic properties of various condensation polyimides containing surface cobalt oxide

Doping polyimides with cobalt ion causes the room temperature direct current electrical resistivity to decrease relative to the polymer alone, the reduction being most pronounced for the air-side of the cobalt modified polyimides. At a constant electrical field, resistivity for the volume, air-side and glass-side modes decreases yet further with an increase in temperature as expected for semiconductors and insulators. X-ray photoelectron spectroscopy indicates the air-side of the cobalt modified polyimides is predominantly Co3O4. The bulk resistivity of the air-side and activation energy of conduction for this surface are comparable to high purity sintered Co3O4. Charging characteristics at room temperature indicate a substantial polymer matrix contribution to both the glass-side and volume mode measurements but a negligible contribution to the air-side electrical properties. Volume electrical resistivity for similar additive levels is reduced by increasing the molecular flexibility of the host polymer.

Rancourt, J. D.↗
NASA NTRS1990

Analysis of satellite data to deduce stratospheric constituents and UV spectroscopic properties of the atmosphere

The objective is to better understand the stratosphere, its constituents, and its ultraviolet optical properties, through detailed analysis of data from the SBUV instrument on Nimbus 7 and comparison with data from other instruments, including the NOAA 9 SBUV 2, SAGE, SME, and SMM. One conclusion to be drawn from the Ozone Trends Panel report is that there are unresolved differences in the ozone profiles measured by different instruments. While the purpose of the work is more to understand the details of the UV radiation field in the stratosphere than it is to assess the accuracy of the SBUV ozone measurement itself, improved understanding of specific problems in the UV will lead to more accurate ozone retrievals. Areas of study include the effect of aerosols on the backscattered albedo, the shape of the ozone profile near the stratopause, the effect of possible polar mesospheric clouds, and the measureability of nitric oxide and sulfur dioxide.

Mcpeters, Richard D.↗
NASA NTRS1991

Comparison of spectroscopic properties of Tm and Ho in YAG and YLF crystals

The paper compares the cross-relaxation, energy transfer and loss processes in Tm- and Ho-doped YAG and YLF as a function of temperature, Tm concentration, and excitation power. Significant differences in the behavior of Tm and Tm,Ho in YAG and YLF crystals were found. The cross-relaxation rates of Tm(6 pct) are faster in YLF (about 5 microsec) than YAG (about 10 microsec). The energy transfer rates between Tm and Ho are faster in YLF than YAG. The time it takes for the maximum intensity of 1.7-micron emission to drop 10 percent is 25 microsec for YLF:Tm(6 pct),Ho(0.6 pct) and 65 microsec YAG:Tm(6 pct),Ho(0.5 pct). The losses occurring with increasing pump power for 2.1-micron emission of the above samples are 30 percent less in YLF than YAG. These qualitative differences point to YLF as a valuable 2-micron laser host material.

Armagan, G.↗
NASA NTRS1992

Effects of the chemical environment on the spectroscopic properties of clays: Applications for Mars

Laboratory studies of Mars soil analogs pose unique problems, since soils interact readily with their environment and exhibit variable characteristics depending on the environment. We have performed a series of experiments focusing on the spectral properties of clays and how they vary as a function of composition and environment, including examination of fundamental as well as overtone absorptions, that occur in the mid- and near-IR, respectively. Smectite clays have been selected in our laboratory experiments as a primary surface analog for Mars because of their compatibility with results of the Viking biology experiments, their stability under current martian conditions, and their compatibility with reflectance spectra of Mars. We prepared a number of monoionic montmorillonites in order to examine the influence of cations on the water molecules in the clay interlayer region. Moessbauer spectra of several montmorillonites with variable amounts of interlayer iron confirm the presence of ferrihydrite.

Bishop, Janice L.↗