Multicenter bonding in carbocations with tetracoordinate protons.
The nature of the bonding in a set of nonclassical carbocations with tetracoordinated protons "sandwiched" between two C=C pi bonds was scrutinized using the new computational methodology of generalized population analysis. The results of this theoretical analysis strongly corroborate the conclusions of a previous study in which the occurrence of delocalized 5-center 4-electron (5c-4e) bonding in the C-C-H-C-C fragments of such cations was anticipated.
Ponec
Robert
R
Institute of Chemical Process Fundamentals, Czech Academy of Sciences, Prague 6, Suchdol 2, 165 02 Czech Republic.
Bultinck
Patrick
P
Gutta
Pradeep
P
Tantillo
Dean J
DJ