Theoretical studies of isotope effects pertinent to solvolysis mechanisms

Ian H. Williams

doi:10.1039/c39850000510

Theoretical studies of isotope effects pertinent to solvolysis mechanisms

Ian H. Williams

Department of Chemistry

University of Cambridge

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

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.

Original language	English
Pages (from-to)	510-511
Number of pages	2
Journal	Journal of the Chemical Society, Chemical Communications
Issue number	8
DOIs	https://doi.org/10.1039/c39850000510
Publication status	Published - 1 Jan 1985

ASJC Scopus subject areas

Molecular Medicine

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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.",

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JO - Journal of the Chemical Society, Chemical Communications

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Theoretical studies of isotope effects pertinent to solvolysis mechanisms

Abstract

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