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JOURNALS // Mendeleev Communications // Archive

Mendeleev Commun., 1993 Volume 3, Issue 3, Pages 100–102 (Mi mendc5285)

This article is cited in 32 papers

What is the Preferred Structure of the Singlet Cyclopentadienyl Cation?

M. N. Glukhovtsev, B. Reindl, P. Schleyer

Institut für Organische Chemie, Friedrich Alexander Universität Erlangen-Nürnberg, Erlangen, Germany

Abstract: Pseudorotation of the singlet cyclopentadienyl cation (a C2v, ′ethylene′-type structure 2) proceeds through the ′allylic′-type C2v singlet 3 as the transition state with an extremely low barrier [0.09] kcal mol–1 at MP4SDTQ/6–31G(2d,p)//MP2(full)/6–13G*] and the C5H5+ nuclear configuration oscillates among the degenerate C2v minima 2,2a,2b, etc.

Language: English

DOI: 10.1070/MC1993v003n03ABEH000242



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