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J Chem Phys. 2012 Jun 28;136(24):244312. doi: 10.1063/1.4729255.

Collision-induced dissociation in (He, H2(+)(v = 0-2; j = 0-3)) system: a time-dependent quantum mechanical investigation.

The Journal of chemical physics

Sujitha Kolakkandy, Kousik Giri, N Sathyamurthy

Affiliations

  1. Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur 208016, India.

PMID: 22755579 DOI: 10.1063/1.4729255

Abstract

The collision-induced process He + H(2)(+)(v = 0-2; j = 0-3) → He + H + H(+) has been investigated using a time-dependent quantum mechanical wave packet approach, within the centrifugal sudden approximation. The exchange reaction He + H(2)(+) → HeH(+) + H, which has a lower threshold, dominates over the dissociation process over the entire energy range considered in this study. The reaction cross section for both the exchange and dissociation channels and the branching ratio between the two channels have been computed on the McLaughlin-Thompson-Joseph-Sathyamurthy potential-energy surface and compared with the available experimental and quasiclassical trajectory results.

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