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Planar Pentacoordinate Carbon in CGa5+ Derivatives

Abstract

We report a family of systems having a planar pentacoordinate carbon (ppC) based on the next heavier analogue of CAl5+, the ppC system par excellence. Although because of the larger size of Ga, the ppC isomer is not even a local minimum in CGa5+, a single isoelectronic substitution of Ga by smaller sized Be maximizes the bonding in ppC form. Retaining the 18 valence electron rule, the global minimum structures of CGa4Be, CGa3Be2-, CGa2Be32-, and CGaBe43- clusters, and their corresponding lithium salts have a ppC.

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Publication details

The article was received on 12 Feb 2018, accepted on 09 Apr 2018 and first published on 09 Apr 2018


Article type: Communication
DOI: 10.1039/C8CP01009A
Citation: Phys. Chem. Chem. Phys., 2018, Accepted Manuscript
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    Planar Pentacoordinate Carbon in CGa5+ Derivatives

    S. Pan, J. L. Cabellos, M. Orozco, P. K. Chattaraj, L. Zhao and G. Merino, Phys. Chem. Chem. Phys., 2018, Accepted Manuscript , DOI: 10.1039/C8CP01009A

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