CBe 5E - (E = Al, Ga, In, Tl): Planar pentacoordinate carbon in heptaatomic clusters

Abril C. Castro; Gerardo Martínez-Guajardo; Thomas Johnson; Jesus M. Ugalde; Yan Bo Wu; José M. Mercero; Thomas Heine; Kelling J. Donald; Gabriel Merino

doi:10.1039/c2cp40839b

CBe ₅E ^- (E = Al, Ga, In, Tl): Planar pentacoordinate carbon in heptaatomic clusters

Abril C. Castro, Gerardo Martínez-Guajardo, Thomas Johnson, Jesus M. Ugalde, Yan Bo Wu, José M. Mercero, Thomas Heine, Kelling J. Donald, Gabriel Merino

Department of Chemistry

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49 Citations (Scopus)

Abstract

A series of clusters with the general formula CBe ₅E ^- (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 EBe ₄ 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. This journal is

Original language	English
Pages (from-to)	14764-14768
Number of pages	5
Journal	Physical Chemistry Chemical Physics
Volume	14
Issue number	43
DOIs	https://doi.org/10.1039/c2cp40839b
Publication status	Published - 2012 Nov 21

All Science Journal Classification (ASJC) codes

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1039/c2cp40839b

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abstract = "A series of clusters with the general formula CBe 5E - (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 EBe 4 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. This journal is",

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language = "English",

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T1 - CBe 5E - (E = Al, Ga, In, Tl)

T2 - Planar pentacoordinate carbon in heptaatomic clusters

AU - Castro, Abril C.

AU - Martínez-Guajardo, Gerardo

AU - Johnson, Thomas

AU - Ugalde, Jesus M.

AU - Wu, Yan Bo

AU - Mercero, José M.

AU - Heine, Thomas

AU - Donald, Kelling J.

AU - Merino, Gabriel

PY - 2012/11/21

Y1 - 2012/11/21

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CBe ₅E ^- (E = Al, Ga, In, Tl): Planar pentacoordinate carbon in heptaatomic clusters

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