Electron-gas interaction potentials for collisions of CaCl(X 2Σ+) and KCl(X 1Σ+) with Ar |
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Authors: | Stephen L. Davis Brigitte Pouilly Millard H. Alexander |
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Affiliation: | Department of Chemistry, George Mason University, Fairfax, Virginia, USA;Laboratoire de Spectroscopie des Molécules Diatomiques, ERA 303, Université de Lille I. Bātiment P5, 59655 Villenueve d''Ascq Cedex France;Department of Chemistry, University of Maryland, College Park, Maryland 20742, USA |
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Abstract: | Interaction potentials for CaCl(X 2Σ+)-Ar and KCl(X 1Σ+)-Ar have been determined. They include a Gordon-Kim electron-gas repulsive part smoothly joined to the long-range van der Waals potential. The van der waals potential for KClAr was taken from Meyer and Toennies. For CaClAr, the necessary molecular parameter were estimated from the Rittner model, which predicts both the dipole and quadrupole moments fairly accurately. The CaClAr interaction potential is quite different from that of KClAr. Due to the outer 4s electron on the Ca+ ion. the CaClAr potential exhibits a deep minimum in the odd-order Legendre terms which is expected to have a large effect on the cross sections for collisional rotational excitation. The KClAr potential determined here also shows significant differences in the repulsive and well regions from that predicted by Meyer and Toennies using a site-site model for the repulsive contribution. |
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