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The dynamics of the H₂+CO⁺ reaction on an interpolated potential energy surface

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Date

2009

Authors

Ramazani, Shapour
Frankcombe, Terry J.
Andersson, Stefan
Collins, Michael A.

Journal Title

Journal ISSN

Volume Title

Publisher

American Institute of Physics (AIP)

Abstract

A potential energy surface that describes the title reaction has been constructed by interpolation of ab initio data. Classical trajectory studies on this surface show that the total reaction rate is close to that predicted by a Langevin model, although the mechanism is more complicated than simple ion-molecule capture. Only the HCO⁺ + H product is observed classically. An estimate of the magnitude of rotational inelastic scattering is also reported.

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Citation

URI

http://hdl.handle.net/1885/16809

Collections

Open Access Research

Source

The Journal of Chemical Physics

Type

Journal article

Book Title

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DOI

10.1063/1.3156805

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