Prospecting for a 5-center 4-electron (C- - -H- - -C- - -H- - -C)+ bonding array.
Herein we describe our search for a carbocation with a delocalized 5-center 4-electron C- - -H- - -C- - -H- - -C bonding array. Various helical and polycyclic molecular architectures were explored using B3LYP calculations, ultimately leading to cation 8, a remarkable species that possesses two trigonal pyramidal carbons flanking a five-coordinate trigonal bipyramidal carbon.
Tantillo
Dean J
DJ
Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853-1301, USA. dt64@cornell.edu
Hoffmann
Roald
R