Re-association of hemocyanins from subunit mixtures.
Dissociation and reassociation reactions of hemocyanin mixtures analyzed by electron microscopy, noting original molecular structures
CHEMICAL REACTION↗
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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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Charge transfer complexes of certain aromatic polyimides
By electron spectroscopy it was shown that aromatic polyimides containing electron-donor residues of diamines -C6H4-X-C6H-(X=NH, NCH3, NC6H5, O, S, and CH2) form charge transfer complexes with low-molecular-weight electron acceptors. Based on the data obtained, the hypothesis was advanced that the coloration of the polyimides per se is due to the formation of charge transfer complexes between the electron-acceptor imide fragments and the electron-donor residues of the diamines.
Gordina, T. A.↗
Electron impact excitation of methane
A crossed molecular beam-electron beam apparatus was employed to examine the excitation cross-sections of CH4. Attention was given to 20, 30, and 200 eV impact energies at angles from 8-130 deg. Spectra were obtained in the elastic and inelastic realms as well as in the ionization continuum in the 12.99-15.0 eV energy-loss range. Differential cross-sections were also determined. The results are useful for modeling the behavior of CH4 in planetary atmospheres.
Vuskovic, L.↗
Energy required for proton production by electron impact in mixtures of atomic and molecular hydrogen
Energy requirements for proton production by electron impact of hydrogen plasma
Monnin, C. F.↗
Electron impact excitation of N2
Molecular nitrogen excitation under electron bombardment at auroral and airglow impact levels, using computerized Monte Carlo method
Brinkmann, R. T.↗
Electron impact excitation from a 1 Delta g state of molecular oxygen
First measurements of electron impact excitation on the O2 a delta-one sub g metastable state to a higher bound state, pi-one sub u, is reported. The data were taken at an incident electron energy of 500 eV and scattering angles of 0 deg to 15 deg. A superelastic electron scattering experiment was performed on the pure oxygen target gas in order to establish the composition of the discharged oxygen and to confirm the existence of delta-one sub g molecules in the interaction region. The electron-impact energy loss spectrum obtained is shown. The electronic assignment of the upper state which produces the vibrational structure was determined to be pi-one sub u by examining the potential energy curves of O2 and applying the electric dipole selection rules. The relative line intensities were obtained and used to determine the Morse potential for the pi-one sub u state.
Khakoo, M. A.↗
Correlation of molecular valence- and K-shell photoionization resonances with bond lengths
The relationship between the interatomic distance and the positions of valence-shell and K-shell sigma(asterisk) photoionization resonances is investigated theoretically for the molecules C2, F2, N2, O2, CO, NO, C2H2, C2H4, C2H6, HCN, H2CO, N20, CO2, and C2N2. The results of molecular-orbital computations are presented in three-dimensional diagrams, which are shown to be similar to the wave functions of a particle in a cylindrical well, confirming the validity of free-electron molecular-orbital (FEMO) approximations for modeling the potential along the symmetry axis. FEMO orbital energies and resonance positions are found to be in good agreement with previous theoretical and experimental results. Also included is a Feshbach-Fano analysis of the relevance of virtual-valence orbitals to the appearance of single-channel resonances in molecular photoionization cross sections.
Sheehy, J. A.↗
Effects of vibrational enhancement of N2 on the cooling rate of ionospheric thermal electrons
It is shown that the cooling rate of ionospheric thermal electrons by molecular nitrogen may be reduced by more than a factor of 3 as a result of the enhanced vibrational excitation of N2 from a number of chemical sources. Furthermore, under conditions of enhanced F region electron densities (greater than 10 to the 6 per cubic centimeter), N2 may act as a small net source rather than as a sink of electron thermal energy. The object of the study is to use results of the Atmospheric Explorer program and improved laboratory reaction rate measurements to evaluate the impact of N2 vibrational on the transfer of energy between N2 and thermal electrons.
Richards, P. G.↗
High Resolution Electron Impact Study of the FUV Emission Spectrum of Molecular Hydrogen
The emission spectrum of molecular hydrogen produced by electron impact excitation at 100eV has been measured in the wavelength range 1140 to 1675 angstroms.
laboratory spectra transition probabilities spectr↗
Electrostatic Properties of Polymers Subjected to Atmospheric Pressure Plasma Treatment; Correlation of Experimental Results with Atomistic Modeling
this study, PE, PTFE, PS and PMMA were exposed to a He+O2, APGD and pre and post treatment surface chemistries were analyzed by X-ray photoelectron spectroscopy and contact angle measurements. Semi-empirical and ab-initio calculations were performed to correlate the experimental results with sonic plausible molecular and electronic structure features of the oxidation process. For the PE and PS, significant surface oxidation showing C-O, C=O, and O-C=O bonding, and a decrease in the surface contact angles was observed. For the PTFE and PM MA, little change in the surface composition was observed. The molecular modeling calculations were performed on single and multiple oligomers and showed regardless of oxidation mechanism, e.g. -OH, =O or a combination thereof, experimentally observed levels of surface oxidation were unlikely to lead to a significant change in the electronic structure of PE and PS, and that the increased hydrophilic properties are the primary reason for the observed changes in its electrostatic behavior. Calculations for PTFE and PMMA argue strongly against significant oxidation of those materials, as confirmed by the XPS results.
Trigwell, S.↗
On the direct and dissociative excitation of the O(3s 3S0) state by electron impact on atomic and molecular oxygen
The ratio of the cross sections for the direct and dissociative excitation of the OI(3s 3S0-2p 3P; 1304 A wavelength) transition, sigma A/sigma D, are accurately determined, and the sigma A/sigma D ratio is directly normalized to the ratio of the O(+) and O2(+) ionization cross sections using a high-density diffuse gas source, an electrostatically focused electron gun, a vacuum-ultraviolet monochromater, and a quadrupole mass spectrometer for simultaneous optical and composition measurements. Using revised sigma A(1304 A) values calculated with new calibration standards, the shape of the cross section for the excitation of the O(3s 3S0) state agrees well with previous results, though the absolute magnitude of sigma A(1304 A) is smaller than the results of Stone and Zipf (1974) by a factor of 2.8. The revised cross sections agree well with recent quantum calculations when cascade excitation of the 3s 3S0 state is taken into account.
Zipf, E. C.↗
Molecular orbital studies in oxidation: Sulfate formation and metal-metal oxide adhesion
The chemical mechanisms for sulfate formation from sodium chloride and sulfur trioxide, which is a product of jet fuel combustion was determined. Molten sodium sulfate leads to hot corrosion of the protective oxide layers on turbine blades. How yttrium dopants in nidkel-aluminum alloys used in turbine blades reduce the spalling rate of protective alumina films and enhance their adhesion was also determined. Two other fulfate mechanisms were deduced and structure of carbon monoxide on a clean chronium and clean platinum-titanium alloys surfaces was determined. All studies were by use of the atom superposition and electron delocalization molecular orbital (ASED-MO) theory. Seven studies were completed. Their titles and abstracts are given.
Anderson, A. B.↗
Computational Study of Field Initiated Surface Reactions for Synthesis of Diamond and Silicon
This project involves using quantum chemistry to simulate surface chemical reactions in the presence of an electric field for nanofabrication of diamond and silicon. A field delivered by a scanning tunneling microscope (STM) to a nanometer scale region of a surface affects chemical reaction potential energy surfaces (PES) to direct atomic scale surface modification to fabricate sub-nanometer structures. Our original hypothesis is that the applied voltage polarizes the charge distribution of the valence electrons and that these distorted molecular orbitals can be manipulated with the STM so as to change the relative stabilities of the electronic configurations over the reaction coordinates and thus the topology of the PES and reaction kinetics. Our objective is to investigate the effect of applied bias on surface reactions and the extent to which STM delivered fields can be used to direct surface chemical reactions on an atomic scale on diamond and silicon. To analyze the fundamentals of field induced chemistry and to investigate the application of this technique for the fabrication of nanostructures, we have employed methods capable of accurately describing molecular electronic structure. The methods we employ are density functional theory (DFT) quantum chemical (QC) methods. To determine the effect of applied bias on surface reactions we have calculated the QC PESs in various applied external fields for various reaction steps for depositing or etching diamond and silicon. We have chosen reactions which are thought to play a role in etching and the chemical vapor deposition growth of Si and diamond. The PESs of the elementary reaction steps involved are then calculated under the applied fields, which we vary in magnitude and configuration. We pay special attention to the change in the reaction barriers, and transition state locations, and search for low energy reaction channels which were inaccessible without the applied bias.
Musgrave, Charles Bruce↗
Molecular beam epitaxial growth and transmission electron microscopy studies of thin GaAs/InAs(100) multiple quantum well structures
GaAs/InAs(100) multiple interface structures involving 7.4 percent lattice mismatch have been fabricated via molecular beam epitaxy and examined via transmission electron microscopy. It is found that high-quality, dislocation-free interfaces involving such high lattice mismatch can indeed be experimentally realized for very thin layers provided proper care is given to achieve a balance between the growth kinetics and the thermodynamics leading to the equilibrium ground state of the strained layer. The compressive strain is homogeneously accommodated and a tetragonal distortion is induced in the InAs layer with a perpendicular lattice constant in close agreement with that expected on the basis of the continuum theory and elastic constants of bulk InAs.
Grunthaner, F. J.↗
Molecular power supply third quarterly report, nov. - jan. 31, 1963
Redesigning element layout for molecular power supply synchronizer
MOLECULAR ELECTRONICS↗
Some potential-energy surfaces on H sub 3 super plus computed with generalized Gaussian orbitals.
Potential energy surfaces on triatomic hydrogen molecule ion computed with generalized Gaussian orbitals
TRIATOMIC MOLECULE↗
The spectrum of the ultraviolet aurora.
UV auroral spectrum atomic oxygen, nitrogen and molecular nitrogen electron impact excited emission calculations compared to rocket observations
Barth, C. A.↗
Physics in perspective. Volume 2, part A: The core subfields of physics
Panel reports to the Survey Committee are presented to provide detailed technical background and documentation for committee findings, and to indicate the vitality and strength of the subfields of physics. Included are the core subfields of acoustics, optics, condensed matter, plasmas and fluids, atomic molecular and electron physics, nuclear physics, and elementary particle physics.
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