Renner-Teller effects in HCO+ dissociative recombination

Ivan A. Mikhailov, Viatcheslav Kokoouline, Åsa Larson, Stefano Tonzani, and Chris H. Greene
Phys. Rev. A 74, 032707 – Published 20 September 2006

Abstract

A theoretical description of the dissociative recombination process for the HCO+ ion suggests that the nonadiabatic Renner-Teller coupling between electronic and vibrational degrees of freedom plays an important role. This finding is consistent with a recent study of this process for another closed-shell molecule, the H3+ ion, where Jahn-Teller coupling was shown to generate a relatively high rate. The cross section obtained here for the dissociative recombination of HCO+ exhibits encouraging agreement with a merged-beam experiment.

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  • Received 16 June 2006

DOI:https://doi.org/10.1103/PhysRevA.74.032707

©2006 American Physical Society

Authors & Affiliations

Ivan A. Mikhailov1, Viatcheslav Kokoouline1, Åsa Larson2, Stefano Tonzani3, and Chris H. Greene3

  • 1Department of Physics, University of Central Florida, Orlando, Florida 32816, USA
  • 2Theoretical Chemistry, School of Biotechnology, Royal Institute of Technology, AlbaNova University Center, S-106 91 Stockholm, Sweden
  • 3Department of Physics and JILA, University of Colorado, Boulder, Colorado 80309, USA

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Issue

Vol. 74, Iss. 3 — September 2006

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