Title

Trajectory Studies of Model HCC  H + C = C Dissociation. III. Details of the Lifetime Distribution Following Chemical Activation

Document Type

Article

Publication Date

1-1984

Publication Source

Journal of Chemical Physics

Volume

80

Issue

2

Inclusive pages

714-719

DOI

10.1063/1.446777

Peer Reviewed

yes

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.

Disciplines

Chemistry

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