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Issue 16, 1999
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Structural isomerization of cyclopropane: a new mechanism through propylidene

Abstract

Ab initio coupled cluster methods indicate that the isomerization of cyclopropane to propene (Ea = 64–66kcal mol–1 experimentally) might involve two differentmechanisms: the barrier for the newly proposed pathway through propylidene is only slightly higher (ΔE‡ = 66.6kcal mol–1) than that of the traditional trimethylene route(ΔE‡ = 64.2 kcal mol–1).

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Article information


Chem. Commun., 1999, 1515-1516
Article type
Paper

Structural isomerization of cyclopropane: a new mechanism through propylidene

H. F. Bettinger, J. C. Rienstra-Kiracofe, B. C. Hoffman, H. F. Schaefer III, P. v. R. Schleyer and J. E. Baldwin, Chem. Commun., 1999, 1515
DOI: 10.1039/A901886G

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