Article ID Journal Published Year Pages File Type
5395864 Journal of Electron Spectroscopy and Related Phenomena 2014 6 Pages PDF
Abstract
Scattering dynamics of dichlorine monoxide (Cl2O) molecule by electron impact is investigated as a function of electron energy and scattering angle. Electron impact total cross sections for Cl2O over an extensive range of impact energies from 0.1 to 2000 eV are reported in this article. Below the ionization threshold of the target, the ab initio R-matrix method and above this incident energy spherical complex optical potential formalism are used for cross section calculation. The total cross section obtained from both theories merges smoothly at the overlapping energy. The resonances obtained using DZP basis sets are located at 1.883, 3.592, 5.205 and 7.326, 8.206, 8.301, 8.452, 9.369 eV and that with 6-31G* basis sets are identified at 1.944, 3.566, 5.183, 5.261, 5.658, 8.738 and 9.187 eV with the possibility of negative ions formation. This is the first attempt to calculate the differential, and momentum transfer cross sections for Cl2O molecule.
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Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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