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Scientific article
English

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

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.

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
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Article (Published version)
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ISSN of the journal0018-019X
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