Steric Effects on Reaction Rates. Part XII: Force-Field Calculations for the Solvolysis of Cyclobutyl and Tricyclyl Derivatives

Muller, Paul; Milin, Didier Jean

doi:10.1002/hlca.19910740823

Scientific article

English

Steric Effects on Reaction Rates. Part XII: Force-Field Calculations for the Solvolysis of Cyclobutyl and Tricyclyl Derivatives

ContributorsMuller, Paul; Milin, Didier Jean

Published inHelvetica Chimica Acta, vol. 74, no. 8, p. 1808-1816

Publication date1991

Abstract

Force-field parameters have been developed for the molecular-mechanics calculation of tertiary carbenium ions with tricyclane structure, for tertiary cyclobutyl and cubyl cations. The cyclobutyl parameters are also applicable to tertiary 7-norbornyl cations. Satisfactory plots are obtained for correlation of the rates of solvolysis with the differences in steric energies between carbenium ions and the corresponding bromides.

Affiliation entities

Faculté des sciences / Section de chimie et biochimie / Département de chimie organique

Funding

Swiss National Science Foundation - 27,466.89

Citation (ISO format)

MULLER, Paul, MILIN, Didier Jean. Steric Effects on Reaction Rates. Part XII: Force-Field Calculations for the Solvolysis of Cyclobutyl and Tricyclyl Derivatives. In: Helvetica Chimica Acta, 1991, vol. 74, n° 8, p. 1808–1816. doi: 10.1002/hlca.19910740823

Article (Published version)

Identifiers

PID : unige:152518
DOI : 10.1002/hlca.19910740823

Additional URL for this publicationhttp://doi.wiley.com/10.1002/hlca.19910740823

Journal ISSN0018-019X

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Steric Effects on Reaction Rates. Part XII: Force-Field Calculations for the Solvolysis of Cyclobutyl and Tricyclyl Derivatives

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