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This article is cited in 34 scientific papers (total in 34 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.
Citation:
M. N. Glukhovtsev, B. Reindl, P. Schleyer, “What is the Preferred Structure of the Singlet Cyclopentadienyl Cation?”, Mendeleev Commun., 3:3 (1993), 100–102
Linking options:
https://www.mathnet.ru/eng/mendc5285 https://www.mathnet.ru/eng/mendc/v3/i3/p100
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