de Meijere, Armin; Faber, Dietmar; Noltemeyer, Mathias; Boese, Roland; Haumann, Thomas; Mueller, Thomas; Bendikov, Michael; Matzner, Eynatte; Apeloig, Yitzhak:

Tris(trimethylsilyl)cyclopropenylium Cation: The First X-ray Structure Analysis of an a-Silyl-substituted Carbocation.

In: Journal of Organic Chemistry (J.Org.Chem.), Jg. 61 (1996) ; Nr. 24, S. 8564-8568
ISSN: 0022-3263
Zeitschriftenaufsatz / Fach: Chemie
The x-ray crystal structure anal. of tris(trimethylsilyl)cyclopropenylium cation 2 is presented and compared with the structure and bonding properties obtained by quantum mech. ab initio calcns. The calcd. bond lengths for 2 are in good agreement with the exptl. detd. ones. The effect of tris-silyl and tris-Me substitution on the stability of the tris-substituted cyclopropenylium ions are calcd. by using the isodesmic hydride transfer reaction. The pKR+ value of 2 is predicted to be 4.