Issue 43, 2012

CBe5E (E = Al, Ga, In, Tl): planar pentacoordinate carbon in heptaatomic clusters

Abstract

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.

Graphical abstract: CBe5E− (E = Al, Ga, In, Tl): planar pentacoordinate carbon in heptaatomic clusters

Supplementary files

Article information

Article type
Paper
Submitted
16 Mar 2012
Accepted
30 Mar 2012
First published
25 Apr 2012

Phys. Chem. Chem. Phys., 2012,14, 14764-14768

CBe5E (E = Al, Ga, In, Tl): planar pentacoordinate carbon in heptaatomic clusters

A. C. Castro, G. Martínez-Guajardo, T. Johnson, J. M. Ugalde, Y. Wu, J. M. Mercero, T. Heine, K. J. Donald and G. Merino, Phys. Chem. Chem. Phys., 2012, 14, 14764 DOI: 10.1039/C2CP40839B

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