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Planar pentacoordinate carbon in CGa5+ derivatives
Sudip Pan1, José Luis Cabellos, Mesías Orozco-Ic
1Institute of Advanced Synthesis, School of Chemistry and Molecular Engineering, Jiangsu National Synergetic Innovation Center for Advanced Materials, Nanjing Tech University, Nanjing, China. ias_sudippan@njtech.edu.cn ias_llzhao@njtech.edu.cn.
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 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.
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