107. P. Müller, D. Milin,
     “Steric Effects on Reaction Rates. Part XII. Force-Field Calculations for the Solvolysis of Cyclobutyl and Tricyclyl Derivatives”
     Helv. Chim. Acta 1991, 74, 1808-1816.

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.

DOI : 10.1002/hlca.19910740823 

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