Absolute transition probabilities in the ultraviolet spectrum of co.
UV spectrum of CO molecule, determining absolute transition probabilities from radiation lifetime and relative radiation branching ratio
MOLECULAR SPECTROSCOPY↗
SEARCH · Engineering Papers
Results for “Vibrational Spectroscopy”
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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Intensity of the self-broadened fundamental band of hydrogen chloride
Hydrogen chloride self broadened fundamental vibration rotation band intensity variation with pressure investigated by absorption spectroscopy analysis
Burnett, S. C.↗
Observation of surface states on gold films by electron tunneling spectroscopy
It is pointed out that inelastic electron tunneling spectroscopy (IETS) is a useful technique for the study of vibrational modes of molecules adsorbed on the surface of the insulating layer in a metal-insulator-metal tunnel junction. A detailed study of electron tunneling in aluminum-aluminum oxide-gold (Al-Al2O3-Au) tunnel junctions has been conducted with an overall goal of exploring possible mechanisms in such a thin film device useful for chemical sensing. For an understanding of the electronic effects in the presence of chemicals in a junction, the electronic surface properties of the metallic films in a clean tunnel junction must be established. The present investigation is concerned with room temperature observations of electronic states on the surface of highly oriented gold film in Al-Al2O3-Au junctions.
Lambe, J.↗
Laboratory molecular spectroscopy
The precision required in making spectroscopic measurements is discussed. Remarks are directed specifically to vibration-rotation spectra rather than continuum absorptions. The ultimate precision that is required for line positions is related to the width of the lines which may be no narrower than the Doppler width. The spectroscopic methods considered are those which are of the most general value to the astronomers; those which acquire and can handle large volumes of spectra in digital form, or in a form which is compatible with computer analysis, and in a form which is at least internally consistent. The use of dye laser, grating instruments, and the most versatile instrument for laboratory spectroscopy, the Fourier transform spectrometer is discussed.
Margolis, J.↗
A 10 micron laser heterodyne spectrometer for remote detection of trace gases
Infrared heterodyne spectroscopy provides a means of measuring the intensity profiles of individual rotation-vibration spectral lines with high sensitivity. Considerable effort has been expended on optimizing these instruments for remote measurements of gases in planetary atmospheres with the result that present-generation spectrometers are beginning to provide new and startling results on the planets. The fundamental principles of laser heterodyne spectroscopy are discussed. Detailed considerations of the optical design and the electronic design of the spectral-line receiver are given. Representative results obtained with this spectrometer are discussed, including precision frequency measurements of NH3 (nu-2) lines, detection of auroral emission from Jupiter, and measurements of terrestrial O3 and CO2.
Mumma, M. J.↗
High-resolution spectroscopy of H2SO4, HDSO4, and D2SO4 vapor in the region 1200-10,000 cm(-1)
The high-resolution (0.05 cm(-1)) spectra of gas-phase H2SO4, HDSO4, and D2SO4 were measured over the frequency region 1200-10,000 cm(-1) using Fourier-transform infrared spectroscopy. The increased resolution of this work compared with previous studies has lead to an improved vibrational analysis of H2SO4. This study has answered unresolved questions about combination bands and overlapping features from previous gas-phase spectroscopic studies of H2SO4 and marks the first experimental measurement of the nu8 and nu15 torsional vibrations in this molecule. This work leads to a brief discussion on vibrational mode mixing in sulfuric acid.
Deuterium/chemistry↗
Free radical and overtone spectroscopy
In the fall of 1987 during a photoacoustic study of hydrogen peroxide's fourth vibrational overtone band, the remarkably clear and well resolved spectrum was observed. Its periodicity and K subband structure suggested that the spectrum was not of hydrogen peroxide but of a smaller near-prolate symmetric top molecule. Furthermore, the time dependent behavior of the signal indicated that chemical changes were taking place within the photoacoustic apparatus.
Reilly, James P.↗
Raman scattering measurements of vibrational and rotational distributions in expanding nitrogen
Vibrational and rotational population distributions in expanding nitrogen in the supersonic nozzle of a reflected shock tunnel were investigated using spontaneous Raman scattering spectroscopy. The experimental data are compared with two multitemperature nonequilibrium calculations, one based on the Landau-Teller model for vibrational relaxation, the other on the solution of the vibrational master equations. Good agreement was found between both the Landau-Teller and the master equation solutions for the vibrational energy mode, but the experimentally inferred rotational temperatures were found to be systematically low, due to collisional narrowing. The dramatic increase in vibrational relaxation rates for a cooling flowfield reported in most previous studies was not reproduced by the present experiments.
Gillespie, Walter D.↗
Infrared absorption by OH containing compounds
The spectroscopy of the species H2O, H2O2, and HO2 are discussed. Their vibration rotation transitions are emphasized, but the pure rotational transitions in the vibrational ground state of H2O are also considered since they contribute to opacity in the middle infrared region.
Hillman, J. J.↗
Michelson interferometer with separated inputs and outputs, double pass, and compensation
A novel configuration is proposed for a Michelson interferometer spectrometer, which will be insensitive to tilts or displacements, and which employs separated inputs and outputs and double passing for higher resolution. The great advantage of such a compensated design is a relaxation of mechanical tolerances, which is especially beneficial for instruments in hostile environments. The Atmospheric Trace Molecule Spectroscopy project, which must work reliably after being subjected to the vibrations of a Space Shuttle launch, would benefit from the use of such an instrument.
Mather, J. C.↗
Characterization of silicon-carbon clusters by infrared laser spectroscopy: the nu 3(sigma u) band of linear Si2C3
The nu 3(sigma u) fundamental vibration of 1 sigma g+ Si2C3 has been observed using a laser vaporization-supersonic cluster beam-diode laser spectrometer. Forty rovibrational transitions were measured in the range of 1965.8 to 1970.9 cm-1 with a rotational temperature of 10-15 K. A least-squares fit of these transitions yielded the following molecular constants: nu 3(sigma u)=1968.188 31(18) cm-1, B"=0.031 575 1(60) cm-1, and B'=0.031 437 4(57) cm-1. These results are in excellent agreement with recent Fourier transform infrared (FTIR) measurements of Si2C3 trapped in a solid Ar matrix [J. Chem. Phys. 100, 181(1994)] and with ab initio calculations [J. Chem. Phys. 100, 175 (1994)] which suggest cumulenic-like bonding for Si2C3, analogous to the isovalent C5 carbon cluster.
Non-NASA Center↗
Far-infrared laser magnetic resonance of vibrationally excited CD2
The detection of 13 rotational transitions in the first excited bending state (010) of CD2 using the technique of far-infrared laser magnetic resonance spectroscopy is reported. Molecular parameters for this state are determined from these new data together with existing infrared observations of the v(2) band. Additional information on the ground vibrational state (000) is also provided by the observation of a new rotational transition, and this is combined with existing data to provide a refined set of molecular parameters for the CD2 ground state. One spectrum has been observed that is assigned as a rotational transition within the first excited symmetric stretching state (100) of CD2. These data will be of use in refining the structure and the potential function of the methylene radical.
Evenson, K. M.↗
Reaction rate of vibrationally excited hydroxyl with ozone
Reaction rate of vibrationally excited hydroxyl with ozone, obtaining hydroxyl emission spectra by Fourier transform spectroscopy
Coltharp, R. N.↗
Intracavity Dye-Laser Absorption Spectroscopy (IDLAS) for application to planetary molecules
Time-resolved, quasi-continuous wave, intracavity dye-laser absorption spectroscopy is applied to the investigation of absolute absorption coefficients for vibrational-rotational overtone bands of water at visible wavelengths. Emphasis is placed on critical factors affecting detection sensitivity and data analysis. Typical generation-time dependent absorption spectra are given.
Lang, Todd M.↗
The millimeter-wave spectrum of the MgH and MgD radicals
The pure rotational spectrum of MgH radical (X 2 Sigma (+)) in its ground state v = 0 and v = 1 vibrational modes has been observed in the laboratory using millimeter/submillimeter direct absorption spectroscopy. The rotational spectra of two isotopically substituted species, MgD and (Mg-26)H, have been detected as well. All six hyperfine components of the N = 0 -1 transition of MgH in its v = 0 and v = 1 states have been directly measured to an accuracy of +/-50 kHz, and the five components have been observed for (Mg-26)H. The N = 0 +/-1 and N = 1 -2 transitions of MgD have also been detected. Rotational, fine structure, and hyperfine constants were determined for all species from a nonlinear least-squared fit to the data using a 2 Sigma Hamiltonian.
Ziurys, L. M.↗
Millimeter and submillimeter rest frequencies for the MgF radical
The pure rotational spectrum of the MgF radical in its ground X(sup 2) Sigma(+) electronic state has been observed in the laboratory using millimeter/submillimeter direct absorption spectroscopy. Rotational transitions arising from the v = 0, 1, 2, and 3 vibrational modes of the main magnesium isotopic species, (24)MgF, have been recorded, as well as those arising from the v = 0 state of the Mg-25 and Mg-26 isotopomers. Rotational and fine-structure constants have been determined for these molecules, as well as hyperfine parameters for both the F-19 (I = 1/2) and Mg-25 (I = 5/2) nuclei. The rest frequencies presented here for MgF have an estimated accuracy of +/- 200 kHz, and will enable astronomical searches to be carried out for this fluoride radical. Magnesium fluoride may be present in the late-type carbon star IRC +10216, where AlF appears to be abundant.
Anderson, M. A.↗
The Failure of Correlation to Describe Out-of-Plane Carbon=Carbon Bending
Carbon-carbon multiply bonded systems are improperly described with standard correlation methods and basis sets. For computations of vibrational modes, the out-of- plane bends can be reported as imaginary at worst or simply too low at best. Utilizing the simplest of aromatic structures (cyclopropenylidene) and various levels of theory, this work diagnoses this known behavior for the first time. A combined 1-particle and n-particle basis set effect conspire to produce these non-physical results. When moving from sp2 to sp3 hybridization in the carbon atoms, the larger number of basis functions overcorrects the energy. This is exacerbated by correlation methods. These allow for occupation of the π and π∗ orbitals in the expanded wave function that combine with the hydrogen s orbitals. As a result, the improperly described space can be further and non-physically stabilized by post-Hartree-Fock correlation. This represents a fundamental problem with at least Hartree-Fock based methods of all flavors in describing carbon. Beyond being a flaw in quantum chemical theory, other repercussions will be present in computations regarding spectroscopy as well as energy and environmental studies where highly-accurate hydrocabon vibrational transitions or thermochemical data are needed.
Fortenberry, Ryan C.↗
High resolution spectroscopy in the microwave and far infrared
High resolution rotational spectroscopy has long been central to remote sensing techniques in atmospheric sciences and astronomy. As such, laboratory measurements must supply the required data to make direct interpretation of data for instruments which sense atmospheres using rotational spectra. Spectral measurements in the microwave and far infrared regions are also very powerful tools when combined with infrared measurements for characterizing the rotational structure of vibrational spectra. In the past decade new techniques were developed which have pushed high resolution spectroscopy into the wavelength region between 25 micrometers and 2 mm. Techniques to be described include: (1) harmonic generation of microwave sources, (2) infrared laser difference frequency generation, (3) laser sideband generation, and (4) ultrahigh resolution interferometers.
Pickett, Herbert M.↗