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Transport of O+ through argon gas

Lookup NU author(s): Professor Alan Dickinson

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Abstract

New experimental and theoretical results are presented that address the movement of O+ ions through argon gas. On the experimental front, improved ion mobility results are presented. These results confirm the presence of the oft-cited mobility minimum as a function of electrostatic field strength at room temperature. On the theoretical side, high-level ab initio potential energy curves are calculated for the Ar- O+ system and, from these, transport properties are calculated and compared to experiment. A crossing between the lowest Π2 curve and the ground state -4 curve near the minimum of each potential becomes an avoided crossing on the inclusion of spin-orbit coupling. It is shown that the more appropriate potential for the description of the motion of O+ (S4) through Ar at the energies of interest is the diabatic potential, neglecting fine structure. By using an improved -4 potential, agreement with the mobility measurements is obtained for low and intermediate electrostatic field strengths, although small discrepancies remain for high field strengths. The appropriate choice of diabatic or adiabatic potentials is also considered for related systems of interest: He- O+, Ne- O+, and Rg- O- (Rg=He,Ne,Ar). © 2008 American Institute of Physics.

Publication metadata

Author(s): Danailov DM, Viehland LA, Johnsen R, Wright TG, Dickinson AS

Publication type: Article

Publication status: Published

Journal: Journal of Chemical Physics

Year: 2008

Volume: 128

Issue: 13

Pages: -

Print publication date: 01/01/2008

Date deposited: 28/06/2010

ISSN (print): 0021-9606

ISSN (electronic): 1089-7690

Publisher: American Institute of Physics

URL: http://dx.doi.org/10.1063/1.2898523

DOI: 10.1063/1.2898523

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