[5]Pericyclynes Are Not Homoaromatic.
[5]Pericyclynes were investigated at high ab initio and density functional levels. On the basis of the geometric, energetic, and magnetic criteria of aromaticity, [5]pericyclynes are not homoaromatic despite their intriguing structure. The strain energy of [5]pericyclynes is negligible.
Jiao
Haijun
H
Computer Chemistry Center, Institut für Organische Chemie, Friedrich-Alexander Universität Erlangen-Nürnberg, Henkestr. 42, D-91054 Erlangen, Germany and Institut für Organische Chemie, Georg-August Universität Göttingen, Tammannstr. 2. D-37077 Göttingen, Germany.
van Eikema Hommes
Nicolaas J. R.
NJ
Schleyer
Paul von Ragué
PR
de Meijere
Armin
A