Direct exchange reactions in a liquid: The cage effect and its spectroscopic manifestations

M. Ben-Nun; R. D. Levine

doi:10.1021/j100112a039

Direct exchange reactions in a liquid: The cage effect and its spectroscopic manifestations

M. Ben-Nun
, R. D. Levine

Institute of Chemistry

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

10 Scopus citations

Abstract

The separation of time scales which allows us to apply such concepts as the direct nature of the reaction or the cage effect is derived from a model Hamiltonian. The predictions of the model are compared to results of a full molecular dynamics simulation of the O + H₂ ∼ OH + H reaction in fluid Ar. Particular attention is given to the rovibrational spectrum due to the caged motion. The angular momentum disposal in the O + H₂ reaction and its steric requirements are clearly evident in the spectroscopy of the caged products or reactants.

Original language	English
Pages (from-to)	2334-2343
Number of pages	10
Journal	Journal of Physical Chemistry
Volume	97
Issue number	10
DOIs	https://doi.org/10.1021/j100112a039
State	Published - 1993

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Direct exchange reactions in a liquid: The cage effect and its spectroscopic manifestations

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