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Issue 43, 2012
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CBe5E (E = Al, Ga, In, Tl): planar pentacoordinate carbon in heptaatomic clusters

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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.

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

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Publication details

The article was received on 16 mar. 2012, accepted on 30 mar. 2012 and first published on 25 apr. 2012


Article type: Paper
DOI: 10.1039/C2CP40839B
Phys. Chem. Chem. Phys., 2012,14, 14764-14768

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    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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