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.
|Number of pages||2|
|Journal||Journal of the Chemical Society, Chemical Communications|
|Publication status||Published - 1 Jan 1985|
ASJC Scopus subject areas
- Molecular Medicine