Theoretical studies of isotope effects pertinent to solvolysis mechanisms

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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 languageEnglish
Pages (from-to)510-511
Number of pages2
JournalJournal of the Chemical Society, Chemical Communications
Issue number8
Publication statusPublished - 1 Jan 1985

ASJC Scopus subject areas

  • Molecular Medicine


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