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Issue 2, 1984
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Dissociative electron capture by chloromethane in condensed phases

Abstract

Ab initio molecular orbital calculation with diffuse and Rydberg augmented basis sets indicate that the potential energy curve for MeCl˙ in condensed phases(simulated by curtailing the basis set)is purely dissociative, in contrast to the situation in the gas phase, where the barrier to dissociation is calculated to be 19 kcal mol–1(1 kcal = 4.18 kJ).

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Article information


J. Chem. Soc., Chem. Commun., 1984, 93-94
Article type
Paper

Dissociative electron capture by chloromethane in condensed phases

T. Clark, J. Chem. Soc., Chem. Commun., 1984, 93
DOI: 10.1039/C39840000093

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