Franck-condon factors for the gaydon-green band system of n sub 2.
Franck-Condon factors for Gaydon-Green band system of nitrogen molecular electron states
MOLECULAR SPECTRUM↗
SEARCH · Search NASA
Results for “MOLECULAR ELECTRONICS”
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.
A new semiclassical decoupling scheme for electronic transitions in molecular collisions - Application to vibrational-to-electronic energy transfer
A new semiclassical decoupling scheme (the trajectory-based decoupling scheme) is introduced in a computational study of vibrational-to-electronic energy transfer for a simple model system that simulates collinear atom-diatom collisions. The probability of energy transfer (P) is calculated quasiclassically using the new scheme as well as quantum mechanically as a function of the atomic electronic-energy separation (lambda), with overall good agreement between the two sets of results. Classical mechanics with the new decoupling scheme is found to be capable of predicting resonance behavior whereas an earlier decoupling scheme (the coordinate-based decoupling scheme) failed. Interference effects are not exhibited in P vs lambda results.
Lee, H.-W.↗
Electron energy-loss spectra in molecular fluorine
Electron energy-loss spectra in molecular fluorine, for energy losses from 0 to 17.0 eV, have been taken at incident electron energies of 30, 50, and 90 eV and scattering angles from 5 to 140 deg. Features in the spectra above 11.5 eV energy loss agree well with the assignments recently made from optical spectroscopy. Excitations of many of the eleven repulsive valence excited electronic states are observed and their location correlates reasonably well with recent theoretical results. Several of these excitations have been observed for the first time and four features, for which there are no identifications, appear in the spectra.
Nishimura, H.↗
Nanotube Heterojunctions and Endo-Fullerenes for Nanoelectronics
Topics discussed include: (1) Light-Weight Multi-Functional Materials: Nanomechanics; Nanotubes and Composites; Thermal/Chemical/Electrical Characterization; (2) Biomimetic/Revolutionary Concepts: Evolutionary Computing and Sensing; Self-Heating Materials; (3) Central Computing System: Molecular Electronics; Materials for Quantum Bits; and (4) Molecular Machines.
Srivastava, Deepak↗
Thermospheric temperature measurement technique.
A method for measurement of temperature in the earth's lower thermosphere from a high-velocity probes is described. An undisturbed atmospheric sample is admitted to the instrument by means of a free molecular flow inlet system of skimmers which avoids surface collisions of the molecules prior to detection. Measurement of the time-of-flight distribution of an initially well-localized group of nitrogen metastable molecular states produced in an open, crossed electron-molecular beam source, yields information on the atmospheric temperature. It is shown that for high vehicle velocities, the time-of-flight distribution of the metastable flux is a sensitive indicator of atmospheric temperature. The temperature measurement precision should be greater than 94% at the 99% confidence level over the range of altitudes from 120-170 km. These precision and altitude range estimates are based on the statistical consideration of the counting rates achieved with a multichannel analyzer using realistic values for system parameters.
Hueser, J. E.↗
New component developments for space technology.
Electronic component development for space technology, discussing memory transistor, transducers, molecular electronics, power components and integration
Dunlap, W. C.↗
Nanostructure Engineered Chemical Sensors for Hazardous Gas and Vapor Detection
A nanosensor technology has been developed using nanostructures, such as single walled carbon nanotubes (SWNTs) and metal oxides nanowires or nanobelts, on a pair of interdigitated electrodes (IDE) processed with a silicon based microfabrication and micromachining technique. The IDE fingers were fabricated using thin film metallization techniques. Both in-situ growth of nanostructure materials and casting of the nanostructure dispersions were used to make chemical sensing devices. These sensors have been exposed to hazardous gases and vapors, such as acetone, benzene, chlorine, and ammonia in the concentration range of ppm to ppb at room temperature. The electronic molecular sensing in our sensor platform can be understood by electron modulation between the nanostructure engineered device and gas molecules. As a result of the electron modulation, the conductance of nanodevice will change. Due to the large surface area, low surface energy barrier and high thermal and mechanical stability, nanostructured chemical sensors potentially can offer higher sensitivity, lower power consumption and better robustness than the state-of-the-art systems, which make them more attractive for defense and space applications. Combined with MEMS technology, light weight and compact size sensors can be made in wafer scale with low cost.
Li, Jing↗
Radiative lifetimes of BBr and of ultraviolet emissions in electron-beam excited BBr sub 3 gas.
Radiative lifetimes of BBr and UV emissions in electron beam excited boron trifluoride gas from phase shift measurements, discussing molecular electronic transition moments
Hesser, J. E.↗
The O II /7319-7330 A/ dayglow
The paper is concerned with a more detailed determination of the quenching rates of O(+)(2-P) ions by electrons, molecular nitrogen, and atomic oxygen using data from the Atmosphere Explorer C and D satellites. It is found that the orbit examined by Walker et al. (1975) was contaminated by zodiacal emissions. Production of the cited ions in the daytime is primarily due to photoionization excitation of neutral atomic oxygen. The quenching rate coefficients which best modified the 7319-A source functions to satisfy the data are determined by a least squares fitting technique. Molecular nitrogen is shown to dominate the quenching over most of the altitude ranges. Electrons become the most important quenching agent at high altitudes but are still a factor of 10 less important than radiation.
Rusch, D. W.↗
Some Aspects of the Implementation of Double Group Symmetry and Electron Correlation in Molecular 4-Component Calculations
The efficient implementation of method for electron correlation in molecular 4-component calculations demands that symmetry be exploited where possible. Algorithms for the construction of matrices and the transformation of integrals over symmetry-adapted basis functions, where the point group is restricted to D(sub 2h) and subgroups, will be presented. The merits of keeping the primitive integrals in the scalar basis will be compared with those of transforming them to the 2-spinor basis.
Dyall, Kenneth G.↗
Carbon Nanotube Based Chemical Sensors for Space and Terrestrial Applications
A nanosensor technology has been developed using nanostructures, such as single walled carbon nanotubes (SWNTs), on a pair of interdigitated electrodes (IDE) processed with a silicon-based microfabrication and micromachining technique. The IDE fingers were fabricated using photolithography and thin film metallization techniques. Both in-situ growth of nanostructure materials and casting of the nanostructure dispersions were used to make chemical sensing devices. These sensors have been exposed to nitrogen dioxide, acetone, benzene, nitrotoluene, chlorine, and ammonia in the concentration range of ppm to ppb at room temperature. The electronic molecular sensing of carbon nanotubes in our sensor platform can be understood by intra- and inter-tube electron modulation in terms of charge transfer mechanisms. As a result of the charge transfer, the conductance of p-type or hole-richer SWNTs in air will change. Due to the large surface area, low surface energy barrier and high thermal and mechanical stability, nanostructured chemical sensors potentially can offer higher sensitivity, lower power consumption and better robustness than the state-of-the-art systems, which make them more attractive for defense and space applications. Combined with MEMS technology, light weight and compact size sensors can be made in wafer scale with low cost. Additionally, a wireless capability of such a sensor chip can be used for networked mobile and fixed-site detection and warning systems for military bases, facilities and battlefield areas.
Li, Jing↗
Topography and transport properties of oligo(phenylene ethynylene) molecular wires studied by scanning tunneling microscopy
Conjugated phenylene(ethynylene) molecular wires are of interest as potential candidates for molecular electronic devices. Scanning tunneling microscopic study of the topography and current-voltage (I-V) characteristics of self-assembled monolayers of two types of molecular wires are presented here. The study shows that the topography and I-Vs, for small scan voltages, of the two wires are quite similar and that the electronic and structural changes introduced by the substitution of an electronegative N atom in the central phenyl ring of these wires does not significantly alter the self-assembly or the transport properties.
Polymers/chemistry↗
Modified Iterative Extended Hueckel. 1: Theory
Iterative Extended Huekel is modified by inclusion of explicit effective internuclear and electronic interactions. The one electron energies are shown to obey a variational principle because of the form of the effective electronic interactions. The modifications permit mimicking of aspects of valence bond theory with the additional feature that the energies associated with valence bond type structures are explicitly calculated. In turn, a hybrid molecular, orbital valence, bond scheme is introduced which incorporates variant total molecular electronic density distributions similar to the way that Iterative Extended Hueckel incorporates atoms.
Aronowitz, S.↗
Nanotechnology with Carbon Nanotubes: Mechanics, Chemistry, and Electronics
This viewgraph presentation reviews the Nanotechnology of carbon nanotubes. The contents include: 1) Nanomechanics examples; 2) Experimental validation of nanotubes in composites; 3) Anisotropic plastic collapse; 4) Spatio-temporal scales, yielding single-wall nanotubes; 5) Side-wall functionalization of nanotubes; 6) multi-wall Y junction carbon nanotubes; 7) Molecular electronics with Nanotube junctions; 8) Single-wall carbon nanotube junctions; welding; 9) biomimetic dendritic neurons: Carbon nanotube, nanotube electronics (basics), and nanotube junctions for Devices,
Srivastava, Deepak↗
Dissociative excitation of vacuum ultraviolet emission features by electron impact on molecular gases. I - H2 and O2
Vacuum UV emission features dissociative excitation by electron impact on molecular hydrogen and oxygen, measuring excitation cross sections from threshold to 350 eV
Mumma, M. J.↗
Theoretical research program to study chemical reactions in AOTV bow shock tubes
The main focus was the development, implementation, and calibration of methods for performing molecular electronic structure calculations to high accuracy. These various methods were then applied to a number of chemical reactions and species of interest to NASA, notably in the area of combustion chemistry. Among the development work undertaken was a collaborative effort to develop a program to efficiently predict molecular structures and vibrational frequencies using energy derivatives. Another major development effort involved the design of new atomic basis sets for use in chemical studies: these sets were considerably more accurate than those previously in use. Much effort was also devoted to calibrating methods for computing accurate molecular wave functions, including the first reliable calibrations for realistic molecules using full CI results. A wide variety of application calculations were undertaken. One area of interest was the spectroscopy and thermochemistry of small molecules, including establishing small molecule binding energies to an accuracy rivaling, or even on occasion surpassing, the experiment. Such binding energies are essential input to modeling chemical reaction processes, such as combustion. Studies of large molecules and processes important in both hydrogen and hydrocarbon combustion chemistry were also carried out. Finally, some effort was devoted to the structure and spectroscopy of small metal clusters, with applications to materials science problems.
Taylor, Peter R.↗
Non-Boltzmann Modeling for Air Shock-Layer Radiation at Lunar-Return Conditions
This paper investigates the non-Boltzmann modeling of the radiating atomic and molecular electronic states present in lunar-return shock-layers. The Master Equation is derived for a general atom or molecule while accounting for a variety of excitation and de-excitation mechanisms. A new set of electronic-impact excitation rates is compiled for N, O, and N2+, which are the main radiating species for most lunar-return shock-layers. Based on these new rates, a novel approach of curve-fitting the non-Boltzmann populations of the radiating atomic and molecular states is developed. This new approach provides a simple and accurate method for calculating the atomic and molecular non-Boltzmann populations while avoiding the matrix inversion procedure required for the detailed solution of the Master Equation. The radiative flux values predicted by the present detailed non-Boltzmann model and the approximate curve-fitting approach are shown to agree within 5% for the Fire 1634 s case.
Johnston, Christopher O.↗
Ion-molecule processes in lasers
Three classes of molecular electronic transition lasers produced by hybrid pumping of high pressure rate gas mixtures are discussed. These are (1) rare gas dimer lasers (such as excited Ar2, Kr2, and Xe2) lasing in the VUV, (2) rare gas halide lasers or excimer lasers (such as KrF, ArF, and XeCl excimers) lasing in the UV, and (3) the charge transfer molecular ion laser (such as N2/+/) lasing in the visible range. Laser excitation methods and kinetic sequences are examined for these lasers.
Laudenslager, J. B.↗