Issue 8, 1985

Theoretical studies of isotope effects pertinent to solvolysis mechanisms

Abstract

Secondary α-D and β-D6 equilibrium isotope effects are calculated by ab initio MO methods for gas-phase heterolyses of a range of 2-propyl substrates; an anomalous trend in the β-D6 effects with variation of the leaving group is accounted for by a model involving hyperconjugative and inductive contributions.

Article information

Article type
Paper

J. Chem. Soc., Chem. Commun., 1985, 510-511

Theoretical studies of isotope effects pertinent to solvolysis mechanisms

I. H. Williams, J. Chem. Soc., Chem. Commun., 1985, 510 DOI: 10.1039/C39850000510

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