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Prospecting for a 5-Center 4-Electron (C- - -H- - -C- - -H- - -C)+ Bonding Array

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journal contribution
posted on 14.03.2003, 00:00 by Dean J. Tantillo, Roald Hoffmann
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.