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Issue 18, 2018
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Planar pentacoordinate carbon in CGa5+ derivatives

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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 the 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.

Graphical abstract: Planar pentacoordinate carbon in CGa5+ derivatives

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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
Phys. Chem. Chem. Phys., 2018,20, 12350-12355

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    Planar pentacoordinate carbon in CGa5+ derivatives

    S. Pan, J. L. Cabellos, M. Orozco-Ic, P. K. Chattaraj, L. Zhao and G. Merino, Phys. Chem. Chem. Phys., 2018, 20, 12350
    DOI: 10.1039/C8CP01009A

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