Campus Units

Chemistry, Ames Laboratory

Document Type

Article

Publication Version

Published Version

Publication Date

10-1999

Journal or Book Title

Journal of Chemical Physics

Volume

111

Issue

14

First Page

6413

Last Page

6421

DOI

10.1063/1.479941

Abstract

Accurate spin–orbit splitting constants (Av+) for the vibrational levels v+=0–41 of CO+(A 2Π3/2,1/2) have been determined in a rotationally resolved pulsed field ionization photoelectron study. A change in slope is observed in the v+ dependence for Av+ at v+≈19–20. This observation is attributed to perturbation of the CO+(A 2Π) potential by the CO+(B 2Σ+) state. Theoretical Av+ values for CO+(A 2Π3/2,1/2, v+=0–41) have also been obtained using a newly developed ab initio computational routine for spin–orbit coupling calculations. The theoretical Av+ predictions computed using this routine are found to be in agreement with the experimental Av+ values for CO+(A 2Π3/2,1/2, v+=0–41). Similar Av+calculations obtained for O+2(X 2Π3/2,1/2g, v+=0–38) are also in accord with the recent experimental Av+ values reported by Song et al. [J. Chem. Phys. 111, 1905 (1999)].

Comments

The following article appeared in Journal of Chemical Physics 111 (1999): 6413, and may be found at doi:10.1063/1.479941.

Rights

Copyright 1999 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

Copyright Owner

American Institute of Physics

Language

en

File Format

application/pdf

Included in

Chemistry Commons

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