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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 163 records · Page 9

Torsional potential function of glyoxal

We have shown, using the fact that glyoxal exists in the trans conformer and the pseudo stable cis conformer that a potential function can be calculated which fits the infrared data of the trans conformer and the microwave intensity data of the cis conformer. This potential function was extended to the d sub 1 and d sub 2 analogs. A study of the potential function of 1,3-butadiene using a different molecular geometry than was previously used was undertaken. Results are presented with different possible vibrational assignments and potential functions which would be consistent with the observed infrared and Raman spectra.

Durig, J. R.↗

An infrared and Raman study of 1,2-dimethyldiphosphine

The Raman spectra of 1,2-dimethyldiphosphine have been recorded in the liquid and solid phases to 4000 per cm. The infrared spectrum of the solid phase was also recorded from 4000 to 200 per cm. The spectra were consistent with the presence of both the trans and gauche meso conformers and presumably the gauche conformer of the d,l isomer in the liquid phase. The gauche meso conformer was absent from the solid phase. A tentative vibrational assignment is proposed for the molecule.

Bard, J. R.↗

A spectroscopic study of intermediates in the condensation of refractory smokes: Matrix isolation experiments SiO

The infrared and Raman spectra of N2 matrix isolated silicon oxides are investigated. The vibrational frequencies of SiO, Si2O2, and Si3O3 were identified and assigned on the basis of normal coordinate analyses. Heating the solid to 50 K (evaporating the matrix) leaves a residue whose infrared spectrum is identical to that of a smoke condensed at ambient temperatures. Further heating of the sample to 500 K leads to significant changes in the band shapes. Investigations of the infrared spectra at several stages of the diffusion process result in the proposal of a mechanism for the transition from molecular properties to those of the residue (bulk) material, which is characterized as Si2O3.

Khanna, R. K.↗

The 1980 summer research fellowship program

The problem of incorporating visual input into robot systems is described. The photochemistry of the stratosphere, particularly possible permutations of the ozone layer, is discussed. Photoelectrochemical properties of metal thio-hypodiphosphates are investigated. Extreme eigenvalues are computed by the Lancqos approach. The rotational Raman spectra of the molecular atmosphere is studied. A computer operated mathematical symbolic manipulation system is described. Preparation of polycrystalline semiconductor electrodes of tungsten and molybdenum dichalcogenides is received.

Darden, G. C.↗

A spectroscopic study of intermediates in the condensation of refractory smokes - Matrix isolation experiments of SiO

The infrared and Raman spectra of N2 matrix-isolated silicon oxides were investigated. The vibrational frequencies of SiO, Si2O2, and Si3O3 were identified and assigned on the basis of normal coordinate analyses. Heating the solid to approximately 50 K (evaporating the matrix) leaves a residue whose infrared spectrum is identical to that of a smoke condensed at ambient temperatures. Further heating of the sample to approximately 500 K leads to significant changes in the band shapes. Investigations of the infrared spectra at several stages of the diffusion process enable a mechanism to be proposed for the transition from molecular properties to those of the residue (bulk) material, which has been characterized as Si2O3.

Khanna, R. K.↗

High-resolution continuous-wave coherent anti-Stokes Raman spectroscopy in a supersonic jet

High-resolution CW coherent anti-Stokes Raman spectra of the nu1 Q branch of methane in an underexpanded supersonic jet were obtained at temperatures as low as 31.5 K and pressures as low as 2 torr. The experimental spectra were well fitted by the calculated theoretical spectra, including transit-time broadening. A temperature of 31.5 K produced the best fit to the data, and the transit-time broadening was comparable to the residual Doppler broadening of about 100 MHz. The supersonic jet provides a convenient method of obtaining molecular cooling at relatively high density, and the ease of construction and the wide range of temperatures and densities available make it a useful tool for high resolution molecular spectroscopy.

Gustafson, E. K.↗

Experiments with phase transitions at very high pressure

A diamond anvil cell is described which was developed for studying hydrogen and other materials to pressure above 100 PGa, including measurements at low temperature. The benefits of X-ray diffraction using synchrotron radiation and using a fixed anode source are examined as well as the optimization of X-ray diffraction at low temperature. A Ge diode detector was incorporated into apparatus for measuring optical absorption, reflectance, and fluorescence in order to enable luminescence studies and Raman spectra were obtained. Results of experiments on Si, Ge, GaP, InAs, hydrogen, benzene, nitrogen, graphite, and the superconductor CeCu2Si2 are given.

Spain, I. L.↗

Interplanetary and interstellar dust

Several processed polycyclic aromatic hydrocarbons (PAH) samples were produced to date. The Raman spectra and D/H ratios of these samples will be studied in the near future. A manuscript was sent to Icarus which gives a detailed discussion of the possibility of using solar flare tracks in interplanetary dust particles (IDPs) to determine a cometary vs. asteroidal source of the IDPs. The technique looks promising and a program was started to measure the large number of IDP track density necessary to address the issue of the source(s) of the dust. The results could potentially tell a great deal about comets and/or asteroids.

Sandford, S.↗

Interstellar polycyclic aromatic hydrocarbons and carbon in interplanetary dust particles and meteorites

Raman spectra of interplanetary dust particles (IDPs) and meteorites containing material similar to polycyclic aromatic hydrocarbons (PAHs) show features that are similar in position and relative strength to interstellar IR emission features attributable to vibrational transitions in free molecular-sized PAHs. In addition, these spectra sometimes show red photoluminescence that has elsewhere been attributed to PAHs, and a part of the carbonaceous phase in IDPs and meteorites contain a degree of deuterium enrichment anticipated in small, free PAHs that are exposed to ISM UV radiation. These observations suggest that some of the IDPs' carbonaceous material may have been produced in circumstellar dust shells, and only slightly modified in interstellar space.

Allamandola, L. J.↗

A point defect model for nickel electrode structures

The Raman spectra for nickel electrode active mass indicate a single formula-unit crystallographic unit cell of the layered NiOOH-type. Empirical stoichiometric formulas require that extensive point defects, cation dopants and nickel vacancies, be incorporated on nickel sites. Structural differences between the alpha/gamma and beta/beta cycles, and the influence of cobalt addition on the structure will be discussed in terms of the point defect model. Other empirical data supporting the point defect model will be considered.

Loyselle, Patricia L.↗

Infrared emission from interstellar PAHs

The mid-IR absorption and Raman spectra of polycyclic aromatic hydrocarbons (PAHs) and the mechanisms determining them are reviewed, and the implications for observations of similar emission spectra in interstellar clouds are considered. Topics addressed include the relationship between PAHs and amorphous C, the vibrational spectroscopy of PAHs, the molecular emission process, molecular anharmonicity, and the vibrational quasi-continuum. Extensive graphs, diagrams, and sample spectra are provided, and the interstellar emission bands are attributed to PAHs with 20-30 C atoms on the basis of the observed 3.3/3.4-micron intensity ratios.

Allamandola, L. J.↗

Phase transition in solid molecular hydrogen at ultrahigh pressures

Solid normal hydrogen was compressed in a diamond-anvil cell to pressures above 200 GPa. Spontaneous Raman spectra demonstrate that the solid undergoes a structural phase transformation beginning at 145 GPa at 77 K, as evidenced by an abrupt discontinuity in the intramolecular vibron frequency as a function of pressure. The magnitude of the vibron-frequency shift and the pressure-temperature conditions of the phase transformation are consistent with its identification as the theoretically predicted pressure-induced orientational ordering of the molecular solid.

Hemley, R. J.↗

Pressure broadening and line coupling in bending bands of CO2

The pressure broadening and line coupling cross sections in the Fano-Ben Reuven theory of line shapes are calculated for bending bands of CO2 in a bath of He atoms. Molecular collision dynamics are simplified by invoking the infinite order sudden (IOS) approximation for molecular rotational and vibrational angular momentum in a manner similar to but not identical with the method developed by Clary and shown to be accurate for CO2-He. Numerical values are obtained using a pairwise additive interaction potential developed by Clary. Predictions are in good accord with data for various infrared bands and pure rotational Raman spectra. It is found that all pressure broadening and state-to-state cross sections depend on only a few dynamical factors (generalized IOS cross sections) and are therefore closely interrelated. Results are used to assess models developed previously to analyze line shapes in this and similar systems.

Green, Sheldon↗

Optical studies of hydrogen above 200 gigapascals - Evidence for metallization by band overlap

Direct optical observations of solid hydrogen to pressures in the 250-gigapascal range at 77 K are reported. Hydrogen samples appear nearly opaque at the maximum pressures. Measurements of absorption and Raman spectra provide evidence that electronic excitations in the visible region begin at about 200 gigapascals. The optical data are consistent with a band-overlap mechanism of metallization.

Mao, N. K.↗

Structural comparison of nickel electrodes and precursor phases

Researchers summarize previous Raman spectroscopic results and discuss important structural differences in the various phases of active mass and active mass precursors. Raman spectra provide unique signatures for these phases, and allow one to distinguish each phase, even when the compound is amorphous to x rays (i.e., does not scatter x rays because of a lack of order and/or small particle size). The structural changes incurred during formation, charge and discharge, cobalt addition, and aging are discussed. The oxidation states and dopant contents are explained in terms of the nonstoichiometric structures.

Cornilsen, Bahne C.↗

Electron cyclotron resonance deposition of a-Si:H and a-C:H films

Amorphous silicon (a-Si:H) and amorphous carbon (a-C:H) films have been deposited by electron cyclotron resonance (ECR) microwave plasma enhanced CVD. A high deposition rate of 25 A/sec and a light-to-dark conductivity ratio of 500,000 for a-Si:H films have been achieved by the ECR process using a pure silane plasma. ECR microwave plasmas have been analyzed by in situ optical emission spectroscopy (OES) and have shown a strong H-asterisk emission at 434 nm indicating higher chemical reactivity than RF plasmas. The linear correlation between the film deposition rate and the SiH-asterisk emission intensity of ECR silane plasma suggests that SiH-asterisk species are related to the neutral radicals which are responsible for the a-Si:H film deposition. Hard and soft a-C:H films have been deposited by ECR with and without RF bias power, respectively. The RF bias to the substrate is found to play a critical role in determining the film structure and the carbon bonding configuration of ECR deposited a-C:H films. Raman spectra of these films indicate that ECR deposition conditions can be optimized to produce diamond films.

Shing, Y. H.↗

Structural comparison of nickel electrodes and precursor phases

In this paper the previous Raman spectroscopic results are summarized and important structural differences in the various phases of active mass and active mass precursors are discussed. Raman spectra provide unique signatures for these phases, and allow one to distinguish each phase, even when the compound is amorphous to X-rays (i.e., does not scatter X-rays because of a lack of order and/or small particle size). The structural changes incurred during formation, charge and discharge, cobalt addition, and aging wil be discussed. The oxidation states and dopant contents are explained in terms of the nonstoichiometric structures.

Cornilsen, Bahne C.↗

Purification, growth, and characterization of Zn(x)Cd(1-x)Se crystals

The purification of starting materials which were used in the growth of Zn(x)Cd(1-x)Se (x = 0.2) single crystals using the traveling solution method (TSM) is reported. Up to 13 cm long single crystals and as grown resistivities of 6 x 10(exp 12) ohm/cm could be achieved. Infrared and Raman spectra of Zn(0.2)Cd(0.8)Se are also presented and discussed.

Silberman, E.↗