Trajectory studies of model H-C-C→H+C=C dissociation. III. Details of the lifetime distribution following chemical activation

William L. Hase, Ronald J. Duchovic, Kandadai N. Swamy, Ralph J. Wolf

Research output: Contribution to journalArticlepeer-review

49 Scopus citations

Abstract

Classical trajectories are used to study the unimolecular decomposition of H-C-C* radicals formed by the H+C=C chemical activation step. The lifetime distribution of the H-C-C* radicals is strongly nonexponential. A long time exponential tail to the lifetime distribution has a unimolecular rate constant ten times smaller than that for a microcanonical ensemble. The relationship between the lifetime distribution and the collision averaged unimolecular rate constant is considered. A discussion is presented on the effect of quasiperiodic trajectories in the molecular phase space on the quantum mechanical unimolecular rate constant.

Original languageEnglish
Pages (from-to)714-719
Number of pages6
JournalThe Journal of Chemical Physics
Volume80
Issue number2
DOIs
StatePublished - 1984

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