Dynamics of molecular photodissociation in clusters: a study of Ar...HCl

A. Garcia-Vela; R. B. Gerber; J. J. Valentini

doi:10.1016/S0009-2614(91)85133-H

Dynamics of molecular photodissociation in clusters: a study of Ar...HCl

A. Garcia-Vela^*, R. B. Gerber, J. J. Valentini

^*Corresponding author for this work

Institute of Chemistry

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

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Abstract

The photodissociation of HCl in the air-HCl cluster has been studied theoretically using a classical trajectory method to explore the effect of a "solvent" atom on the process. The calculated kinetic energy and angular distributions of the photofragments show a "cage" effect, due to collisions between H and the heavy atoms before H leaves the cluster. Also, significant differences are seen depending on whether a classical distribution is used to describe the initial Ar-HCl bending distribution.

Original language	English
Pages (from-to)	223-228
Number of pages	6
Journal	Chemical Physics Letters
Volume	186
Issue number	2-3
DOIs	https://doi.org/10.1016/S0009-2614(91)85133-H
State	Published - 8 Nov 1991

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N2 - The photodissociation of HCl in the air-HCl cluster has been studied theoretically using a classical trajectory method to explore the effect of a "solvent" atom on the process. The calculated kinetic energy and angular distributions of the photofragments show a "cage" effect, due to collisions between H and the heavy atoms before H leaves the cluster. Also, significant differences are seen depending on whether a classical distribution is used to describe the initial Ar-HCl bending distribution.

AB - The photodissociation of HCl in the air-HCl cluster has been studied theoretically using a classical trajectory method to explore the effect of a "solvent" atom on the process. The calculated kinetic energy and angular distributions of the photofragments show a "cage" effect, due to collisions between H and the heavy atoms before H leaves the cluster. Also, significant differences are seen depending on whether a classical distribution is used to describe the initial Ar-HCl bending distribution.

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Dynamics of molecular photodissociation in clusters: a study of Ar...HCl

Abstract

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