Opacity analysis of steric requirements in elementary chemical reactions

R. D. Levine; R. B. Bernstein

doi:10.1016/0009-2614(84)80092-5

Opacity analysis of steric requirements in elementary chemical reactions

R. D. Levine^*
, R. B. Bernstein

^*Corresponding author for this work

Institute of Chemistry

Research output: Contribution to journal › Article › peer-review

95 Scopus citations

Abstract

The orientation dependence of the barrier to reaction is incorporated into the classical line-of-centers model to obtain the dependence of the "cone of acceptance" upon impact parameter and collision energy. Simple expressions for the orientation-averaged opacity function, the reaction cross section and the steric factor are derived. Comparison is made with recent classical trajectory calculations by Blais and Truhlar for the H + D₂ reaction.

Original language	English
Pages (from-to)	467-471
Number of pages	5
Journal	Chemical Physics Letters
Volume	105
Issue number	5
DOIs	https://doi.org/10.1016/0009-2614(84)80092-5
State	Published - 30 Mar 1984

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title = "Opacity analysis of steric requirements in elementary chemical reactions",

abstract = "The orientation dependence of the barrier to reaction is incorporated into the classical line-of-centers model to obtain the dependence of the {"}cone of acceptance{"} upon impact parameter and collision energy. Simple expressions for the orientation-averaged opacity function, the reaction cross section and the steric factor are derived. Comparison is made with recent classical trajectory calculations by Blais and Truhlar for the H + D2 reaction.",

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AU - Bernstein, R. B.

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AB - The orientation dependence of the barrier to reaction is incorporated into the classical line-of-centers model to obtain the dependence of the "cone of acceptance" upon impact parameter and collision energy. Simple expressions for the orientation-averaged opacity function, the reaction cross section and the steric factor are derived. Comparison is made with recent classical trajectory calculations by Blais and Truhlar for the H + D2 reaction.

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Opacity analysis of steric requirements in elementary chemical reactions

Abstract

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