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

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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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