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

Literature Information

Publication Date 2012-04-25
DOI 10.1039/C2CP40839B
Impact Factor 3.676
Authors

Abril C. Castro, Thomas Johnson, Jesus M. Ugalde, Yan-bo Wu, José M. Mercero, Thomas Heine, Kelling J. Donald


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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.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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