Search NASA⌕ Search

SEARCH · Search NASA

Results for “RAMAN SPECTRA”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS1975

Raman spectra of gases. XVI - Torsional transitions in ethanol and ethanethiol

The Raman spectra of gaseous ethanol and ethanethiol have been investigated. Thiol torsional fundamentals for the gauche conformer of EtSH and EtSD have been observed and the asymmetric potential function for this vibration has been calculated. Methyl torsional transitions and overtones have also been observed for both of these molecules. Barriers to internal rotation for the methyl top are calculated to be 3.77 and 3.84 kcal/mol for the EtSH and EtSD compounds, respectively. Hydroxyl torsional fundamentals were observed at 207 and 170 per cm in the EtOH and EtOD spectra, respectively. Overtones of the methyl torsion in both molecules yield a barrier to internal rotation of 3.62 kcal/mol for the gauche conformer.

Durig, J. R.↗
NASA NTRS1975

Raman spectra of gases. XVIII - Internal rotational motions in ethylamine and ethylamine-d2

The Raman spectra of gaseous CH3CH2NH2 and CH3CH2ND2 have been recorded at wavenumbers from 100 to 600. Both ground and excited states of the methyl and amino torsional modes for the gauche conformer have been observed. The overtone of the methyl torsion has also been observed for the gauche conformer. The methyl barriers in the gauche conformers of the CH3CH2NH2 and CH3CH2ND2 molecules were found to be 3.71 + or - 0.05 and 3.59 + or - 0.05 kcal/mole, respectively. The apparent difference in the barrier heights for these two isotopic species is attributed to a difference in the coupling between the methyl and amino torsions in these two molecules. The potential function for internal rotation around the C-N bond in CH3CH2ND2 was determined. The energy difference between the potential energy minima of the gauche and trans conformations is 0.592 kcal/mole with the trans being the more stable.

Durig, J. R.↗
NASA NTRS1976

The Raman spectra of N-14O2 and N-15O2 solids at 20 K

The Raman spectra of N-14O2 and N-15O2 have been studied at 20 K. The far infrared of N-14O2 at 20 K was also measured. The data were assigned on the basis of a C-sub 2 nu molecular model. Normal coordinate calculations were performed for a variety of assignments. The assignment that yielded the best fit is presented. The solid state effects are discussed.

Durig, J. R.↗
NASA NTRS1992

Raman spectra of seven interplanetary dust particles

The Raman shift spectra of seven interplanetary dust particles, U2034(F10), U2034(F8), U2022(B1), W7074 18, W7074 C15, W7074 C3 and W7074 A7, were measured with a Spex-1403 Raman spectrograph. The exciting radiations were the 488 nm and 514 nm line of a 5W argon ion laser. All seven spectra exhibit the 1350 and 1600 Delta/cm arbon bands, implying that the Interplanetary dust particles were coated with hydrocarbon and incompletely crystallized carbon, the part of which may be the residue of hydrocarbon contents in the particles after water loss by the heating during their entry into the earth's atmosphere. A weak band structure in the 520-610/cm range could be caused by cyclosilicates, and a weak band at 2900/cm is tentatively identified as due to hydrocarbon molecules.

Xu, Yin-Lin↗
NASA NTRS1980

Absorption and resonance Raman spectra of Pb2, Pb3 and Pb4 in xenon matrices

Lead metal was vaporized and trapped in solid xenon at 12K. Electronic absorption and resonance Raman spectra were recorded of the resulting matrix, which was shown to contain Pb2, Pb3, and possibly Pb4 molecular species. The vibrational frequency for Pb2 is determined to be 108/cm for the ground state, with a dissociation energy of 82000/cm. Ad3h symmetry is indicated for the Pb3 species, with nu sub 1=117/cm and nu sub 2 = 96 /cm. The existence of Pb4 is suggested by a fundamental and overtone of 111/cm spacing.

Stranz, D. D.↗
DOE OSTI2024

Controlling the Fluctuating Tip-Enhanced Raman Spectra of Chloramben on Silver Nanocubes

Tip-enhanced Raman (TER) scattering from molecules residing at plasmonic junctions can be used to detect, identify, and image single molecules. This is most evident for flat molecules interrogated under extreme conditions of temperatures and pressure. It is also the case for (bio)molecular systems that feature preferred orientations/conformations under ambient laboratory conditions. More complex molecules that can adopt multiple conformations and/or that feature different protonation and/or charge states give rise to complex TER spectra. Here we illustrate how the latter can be controlled in the case of chloramben molecules coated onto plasmonic silver nanocubes. We show that characteristic molecular Raman spectra cannot be obtained when tunneling plasmons are operative, i.e., when the tip is in direct contact with the chemically functionalized plasmonic nanoparticles. We rationalize these observations and propose an approach to less invasive, and hence, more analytical TER spectral imaging.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Effects of Mars Analogue Dust Deposition on DUV Raman Spectra: Implications for the Mars2020 Perserverance Rover SHERLOC Instrument

The Scanning Habitable Environments with Raman & Luminescence for Organics & Chemicals (SHERLOC) instrument suite includes a deep ultraviolet (DUV) Raman and fluorescence instrument on the robotic arm of the Mars2020 (M2020) Perseverance rover [1]. When sufficiently thick dust coatings are present, substrate surfaces are not detected, and mineralogical information not obtained. For example, the effect of palagonitic dust coatings as a function of depth to various substrates on thermal emission, VNIR, and Mössbauer spectra are reported by [2, 3]. In this study, we use the same palagonitic dust to study the effect of dust coating thickness on DUV Raman spectra.

N. C. Haney↗
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.↗