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

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34 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 languageEnglish
Pages (from-to)14764-14768
Number of pages5
JournalPhysical Chemistry Chemical Physics
Volume14
Issue number43
DOIs
Publication statusPublished - 2012 Nov 21

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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    Castro, A. C., Martínez-Guajardo, G., Johnson, T., Ugalde, J. M., Wu, Y. B., Mercero, J. M., Heine, T., Donald, K. J., & Merino, G. (2012). CBe 5E - (E = Al, Ga, In, Tl): Planar pentacoordinate carbon in heptaatomic clusters. Physical Chemistry Chemical Physics, 14(43), 14764-14768. https://doi.org/10.1039/c2cp40839b