SEARCH · Search NASA
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.
Molecular vibrational excitations by charged-particle impact are investigated within the Glauber-theory approach. Theoretical results for electron-H2 scattering give good agreement with experimental data. We study the physical effects responsible for the structures in the differential cross section.
Molecular vibration spectra from field emission energy distributions
Molecular vibration absorption spectra from variation of field emitted electron energy distribution due to inelastic electron-molecule interaction at metal-vacuum interface
Thermal energy transfer between free electrons and molecular vibration
Molecular vibrational rotational parameters measured with IR heterodyning technique
Molecular vibration spectra from inelastic interaction between electrons and absorbed molecules at metal-vacuum interface
Wave interaction dynamics of far IR ELECTROMAGNETIC radiation generation by coherent molecular vibrations or phonons excited by stimulated Raman scattering and resonant phase matching condition
A model calculation to predict infrared Shuttle flow due to the radiative relaxation of vibration of the NO molecule is presented. Space Shuttles hit atmospheric NO molecules at a very high speed and excite vibrational and rotational motions up to the temperature of 54,000 K. With the electric dipole radiation of delta v = 1, 2, 3, and particularly 4 (v is the vibrational quantum number), the excited NO molecules emit infrared radiation before they collide with other molecules. The total radiation power is estimated to be 170 A micro-W, where A is the cross-section area of the Shuttle in sq m if no adsorption of the NO molecule takes place on the Shuttle surface. The intensity of each infrared line is calculated as a function of time, including all vibrational states up to v = 35.
Explore the source record for details and available documents.
Alternative algebraic techniques to approximate a given Hamiltonian by a harmonic oscillator are described both for time-independent and time-dependent systems. We apply them to the description of a one dimensional atom-diatom collision. From the resulting evolution operator, we evaluate vibrational transition probabilities as well as other time-dependent properties. As expected, the ground vibrational state becomes a squeezed state during the collision.
Use of a scale factor reduces the errors in computed vibrational frequencies (errors due to anharmonicities, basis set deficiencies, and approximate treatment of electron correlation). Additional errors come from modelling solids with small molecules. Nevertheless, we hope that the present calculations add to the understanding of surface IR measurements of the heat tiles.
For molecular crystals, a procedure is proposed for interpreting experimentally determined atomic mean square anisotropic displacement parameters (ADPs) in terms of the overall molecular vibration together with internal vibrations with the assumption that the molecule consists of a set of linked rigid segments. The internal librations (molecular torsional or bending modes) are described using the variable internal coordinates of the segmented body. With this procedure, the experimental ADPs obtained from crystal structure determinations involving six small molecules (sym-trinitrobenzene, adenosine, tetra-cyanoquinodimethane, benzamide, alpha-cyanoacetic acid hydrazide and N-acetyl-L-tryptophan methylamide) have been analyzed. As a consequence, vibrational corrections to the bond lengths and angles of the molecule are calculated as well as the frequencies and force constants for each internal torsional or bending vibration.
Physical mechanisms for producing vibrationally excited molecular hydrogen, such as has recently been detected toward the Orion Nebula, are discussed. The most likely mechanisms are collisional excitation behind a shock moving into a molecular cloud and near-ultraviolet pumping in the H2 Lyman and Werner bands and subsequent cascade. The absolute intensities of the Orion lines require either a 10-km/s shock moving into a cloud with a density of 300,000 per cu cm or an incident near-UV flux 1 million times the mean interstellar value. The shock model is favored because it matches the observed relative line intensities and because the near-UV source, Theta-1 Ori C, may be too weak to provide the required flux. Intensities of other H2 lines in the shock model are predicted as a further observational discriminant.
The possibility that vibrationally excited H2 may be collisionally de-excited, so providing a heating mechanism for interstellar clouds which operates by coupling the stellar radiation to the gas, is discussed. The majority of excitations in the Lyman and Werner bands of H2 return the molecules to the ground electronic state in a vibrationally excited level, the most favored level being 7. The heating rate obtained in this way is compared with other mechanisms which have been postulated, and the results of calculations of temperature as a function of depth into clouds of different densities are presented. It appears that this mechanism is a significant one, which should be taken into account in detailed models of dense clouds.
We discuss the possibility that vibrationally excited H2 may be collisionally de-excited, so providing a heating mechanism for interstellar clouds which operates by coupling the stellar radiation to the gas. The majority of excitations in the Lyman and Werner bands of H2 return the molecules to the ground electronic state in a vibrationally excited level, the most favoured being v'' = 7. We compare the hearing rate obtained in this way with other mechanisms which have been postulated, and present the results of calculations of temperature as a function of depth into clouds of different densities.
A comprehensive theoretical model for vibrationally excited H2 in the upper atmosphere of Jupiter is presented. Theoretical calculations demonstrate the probable existence of significantly enhanced populations of vibrationally excited H2 in the Jovian upper atmosphere, especially in the auroral regions. It is also shown that this H2 is an important chemical sink of H(+) ions in the Jovian ionosphere and thus has a significant effect on the calculated ionospheric electron densities.
Methylamine crystals lattice vibrations IR spectra recordings, making spectral band assignments according to translational and librational motions
Thermospheric molecular nitrogen vibrational temperature, studying various chemical reactions and collisions as energy sources