A series of clusters with the general formula CBe5E- (E = Al, Ga, In, Tl) are theoretically shown to have a planar pentacoordinate carbon atom. The structures show a simple and rigid topological framework—a planar EBe4 ring surrounding a C center, with one of the ring Be–Be bonds capped in-plane by a fifth Be atom. The system is stabilized by a network of multicenter σ bonds in which the central C atom is the acceptor, and π systems as well by which the C atom donates charge to the Be and E atoms that encircle it.
Copyright © 2012 Royal Society of Chemistry. This article first appeared in Physical Chemistry, Chemical Physics 14 (2012), 14764-14768.
Please note that downloads of the article are for privater/personal use only.
Castro, Abril C., Gerardo Martinez-Guajardo, Thomas Johnson, Jesus M. Ugalde, Yan-bo Wu, Jose M. Mercero, Thomas Heine, Keilling J. Donald, and Gabriel Merino. "CBe5E (E = Al, Ga, In, Tl): Planar Pentacoordinate Carbon in Heptaatomic Clusters." Physical Chemistry, Chemical Physics 14 (2012): 14764-14768. doi:10.1039/c2cp40839b.