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At least 289 records · Page 16

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NASA NTRS1982

Determination of accurate dissociation limits and interatomic interactions at large internuclear distances

This paper illustrates (using the molecules LiH, Li2 and Na2) how laser-induced fluorescence can be used to greatly expand the range of observed vibrational levels in ground electronic states. This expanded vibrational range leads to the determination of virtually the full well of the potential energy curve. This also leads to improved determination of the dissociation limit and serves as a severe test for highly accurate ab initio calculations now available for many small molecules.

Stwalley, W. C.↗

NASA NTRS1983

Concerning sources of O/1D/ in Aurora - Electron impact and dissociative recombination

The present investigation is concerned with two questions. One is related to the possibility that the O(1D) level is produced by an as yet unidentified process in aurora. The second question is concerned with the need for an additional source and the altitude over which it is required. The data base of the AE satellite (AE-D in particular) was examined for this study. It is found that dissociative recombination and electron impact are inadequate sources of O(1D) in aurora. Nearly 90% of the source function is unidentified below 200 km and about 55% is missing above 250 km. The possibility that thermal electron impact could provide the missing source above 250 km was examined. Calculations showed that the missing source above 250 km could be explained by thermal electron impact if the electron temperatures were approximately 2900 K.

Sharp, W. E.↗

NASA NTRS1983

Inclusion of discrete-to-continuum coupling in multiphoton excitation and dissociation calculations

A nonperturbative approach to multiphoton excitation and dissociation of molecules is presented in which coupling to the continuum is treated explicitly. Transitions among continuum levels are not modeled directly, but something of their effect is represented by assuming that the continuum population density is so low as to be effectively zero at all times. Two trial applications are briefly discussed.

Zimmerman, I. H.↗

NASA NTRS1983

The dissociative recombination of O2(+) - The quantum yield of O(1S) and O(1D)

Data from the visible airglow experiment on the Atmosphere Explorer-E satellite have been used to determine the quantum yield of O(1S) and O(1D) from the dissociative recombination of O2(+). A range of values between 0.09 and 0.23 has been obtained for the quantum yield of O(1S). It is shown that the quantum yield of O(1S) depends on the ratio of electron density to atomic oxygen density. This suggests that the quantum yield of O(1S) may depend on the degree of vibrational excitation of the recombining O2(+). The quantum yield of O(1D) has been measured to be 1.23 + or - 0.42, with no dependence on the electron-oxygen ratio.

Abreu, V. J.↗

NASA NTRS1983

Production of O(-) from CO2 by dissociative electron attachment

Dissociative electron attachment cross-section measurements for the production of O(-) from CO2 are performed using a crossed target-beam - electron-beam collision geometry and a quadrupole mass spectrometer. The relative flow technique is used in determining the absolute values of the cross sections. The attachment energies corresponding to the five cross-section maxima are given. They are 4.4 + or - 0.1, 8.2 + or - 0.1, 13.0 + or - 0.2, 16.9 + or - 0.2, and 19.4 + or 0.2 eV. Also given are the cross sections at these maxima: 1.43 x 10 to the -19th sq cm, 4.48 x 10 to the -19th sq cm, 8.1 x 10 to the -21st sq cm, 8.1 x 10 to the -21st sq cm, and 1.2 x 10 to the -20th sq cm, respectively.

Orient, O. J.↗

NASA NTRS1983

O(1S) from dissociative recombination of O2(+) - Nonthermal line profile measurements from Dynamics Explorer

The measurements reported were made of the O(1S) emission line profile at 5577 A at high spectral resolution with the Fabry-Perot interferometer on the Dynamics Explorer spacecraft. It is found that the line profile has marked nonthermal characteristics in the nightglow. A simple collisional relaxation model is used to analyze the nighttime emission line profiles, measured in the equatorial region. The branching ratio is inferred for the dissociative recombination of O2(+) leading to O(1S). The result reveals that the O(1S) + O(1D) channel is favored over the O(1S). The result reveals that the O(1S) + O(1D) channel is favored over the O(1S) + O(3P) channel by a factor of 4; this does not agree with the ratio reported by Hernandez (1971). It is noted, however, that the result is consistent with the active channel for O(1S) production being via the 1Sigma u + repulsive state of O2, as suggested by the theoretical calculations of Guberman (1983). In addition, a value is obtained for the excitation exchange cross section for O(1S).

Killeen, T. L.↗

NASA NTRS1984

Study of the sulphur-containing molecules in the EUV region. IV - The dissociation processes of SO2 in the 760 A region

The fluoresence throughout the VUV and violet regions has been observed from photoexcitation of SO2, and the absolute fluorescence cross sections of the VUV emissions have been measured at selected atomic emission lines and in the synchrotron radiation continuum from 550 to 760 A. Emissions from the O I 1304 A and several S I lines account for the fluorescence observed in the VUV region, while the fluorescence observed in the UV and violet regions is due to excited SO and, also, possibly to excited SO2(+) and SO(+). Structure in the VUV fluorescence excitation function is attributed to predissociation of Rydberg states. The VUV fluorescence resulting from an O2 elimination process, SO2 + h times nu yielding metastable S + O2, has been observed in the present work although the threshold for this process has not been determined. The threshold corresponding to the total dissociation process, SO2 + h times nu yielding metastable S + 2O, has been measured and found to agree reasonably with the expected value calculated from thermochemical data. The processes for the formation of S(+) are also discussed.

Wu, C. Y. R.↗

NASA NTRS1984

On the dissociation energy of CaOH and LiOH

A technique for computing the dissociation energy of ionic diatomics is extended to the ionic triatomics LiOH and CaOH. The calculated Do values (with the recommended experimental values in parentheses) are 4.72 plus or minus 0.06 eV (4.53 plus or minus 0.04) for LiOH and 4.13 plus or minus 0.07 (4.23 eV) for CaOH.

Bauschlicher, C. W., Jr.↗

NASA NTRS1985

Kinetic energies of fragment ions produced by dissociative photoionization of NO

The kinetic energies of ions produced by dissociative photoionization of NO have been measured at the discrete resonance lines of He (584A) and Ne (736A), and with undispersed synchrotron radiation. O sup + ions were identified with energies from 0 to approximately 0.5 eV and two groups of N sup + ions one with energy of 0.36 eV and another with energies between 0.9 and 1.5 eV, apparently produced by predissociation of the C sup 3 P 1 and B'1 sigma states respectively.

Samson, J. A. R.↗

NASA NTRS1985

A potential-energy surface study of the 2A1 and low-lying dissociative states of the methoxy radical

Accurate, ab initio quantum chemical techniques are applied in the present study of low lying bound and dissociative states of the methoxy radical at C3nu conformations, using a double zeta quality basis set that is augmented with polarization and diffuse functions. Excitation energy estimates are obtained for vertical excitation, vertical deexcitation, and system origin. The rate of methoxy photolysis is estimated to be too small to warrant its inclusion in atmospheric models.

Jackels, C. F.↗

NASA NTRS1985

Theoretical studies of dissociative recombination

The calculation of dissociative recombination rates and cross sections over a wide temperature range by theoretical quantum chemical techniques is described. Model calculations on electron capture by diatomic ions are reported which illustrate the dependence of the rates and cross sections on electron energy, electron temperature, and vibrational temperature for three model crossings of neutral and ionic potential curves. It is shown that cross sections for recombination to the lowest vibrational level of the ion can vary by several orders of magnitude depending upon the position of the neutral and ionic potential curve crossing within the turning points of the v = 1 vibrational level. A new approach for calculating electron capture widths is reported. Ab initio calculations are described for recombination of O2(+) leading to excited O atoms.

Guberman, S. L.↗

NASA NTRS1985

The kinetic energy spectrum of protons produced by the dissociative ionization of H2 by electron impact

The kinetic energy spectra of protons resulting from the dissociative ionization of H2 by electron impact have been measured for electron impact energies from threshold (approximately 17 eV) to 160 eV at 90 deg and 30 deg detection angles, using a crossed-beam experimental arrangement. To check reliability, two separate proton energy analysis methods have been employed, i.e., a time-of-flight proton energy analysis and an electrostatic hemispherical energy analyzer. The present results are compared with previous measurements.

Khakoo, M. A.↗

NASA NTRS1986

Electromagnetic dissociation effects in galactic heavy-ion fragmentation

Methods for calculating cross sections for the breakup of galactic heavy ions by the Coulomb fields of the interacting nuclei are presented. By using the Weizsacker-Williams method of virtual quanta, estimates of electromagnetic dissociation cross sections for a variety of reactions applicable to galactic cosmic ray shielding studies are presented and compared with other predictions and with available experimental data.

Norbury, J. W.↗

NASA NTRS1986

Theoretical and experimental investigation of the destruction of graphites in a flow of dissociated air

A method is presented for calculating the heating and erosion of blunt bodies made of graphite in a high-enthalpy flow of dissociated air, assuming chemical equilibrium on the surface and taking account of the thermal effects of combustion and sublimation of graphite. The analysis involves the use of a finite difference scheme to solve an equation of unsteady heat conduction. Attention is given to the equilibrium vaporization of C, C2 and C3 molecules. The calculations agree well with experimental data for a wide range of temperatures and stagnation pressures.

Bovina, T. A.↗

NASA NTRS1986

Heat and mass transfer in a dissociated laminar boundary layer of air with consideration of the finite rate of chemical reaction

A numerical investigation of heat and mass transfer in a dissociated laminar boundary layer of air on an isothermal flat plate is carried out for different degrees of cooling of the wall. A finite-difference chemical model is used to study elementary reactions involving NO2 and N2O. The analysis is based on equations of continuity, momentum, energy, conservation and state for the two-dimensional viscous flow of a reacting multicomponent mixtures. Attention is given to the effects of both catalyticity and noncatalyticity of the wall.

Oyegbesan, A. O.↗

NASA NTRS1986

Spectral studies related to dissociation of HBr, HCl and BrO

Concern over halogen catalyzed decomposition of O3 in the upper atmosphere has generated need for data on the atomic and molecular species X, HX and XO (where X is Cl and Br). Of special importance are Cl produced from freon decomposition and Cl and Br produced from natural processes and from other industrial and agricultural chemicals. Basic spectral data is provided on HCl, HBr, and BrO necessary to detect specific states and energy levels, to enable detailed modeling of the processes involving molecular dissociation, ionization, etc., and to help evaluate field experiments to check the validity of model calculations for these species in the upper atmosphere. Results contained in four published papers and two major spectral compilations are summarized together with other results obtained.

Ginter, M. L.↗

NASA NTRS1985

Cross sections for H(-) and Cl(-) production from HCl by dissociative electron attachment

A crossed target beam-electron beam collision geometry and a quadrupole mass spectrometer have been used to conduct dissociative electron attachment cross section measurements for the case of H(-) and Cl(-) production from HCl. The relative flow technique is used to determine the absolute values of cross sections. A tabulation is given of the attachment energies corresponding to various cross section maxima. Error sources contributing to total errors are also estimated.

Orient, O. J.↗

NASA NTRS1985

Kinetic energies of fragment ions produced by dissociative photoionization of NO

Samson, J. A. R.↗