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Zn3BSi5+: a two-layer molecular rotor with a planar pentacoordinate boron
Ya-Xuan Cheng1, Li-Xia Bai1, Jin-Chang Guo1
1Key Laboratory of Materials for Energy Conversion and Storage of Shanxi Province, Institute of Molecular Science, Shanxi University, Taiyuan 030006, China. guojc@sxu.edu.cn.
None:
The first silicon-based two-layer molecular rotor Cs Zn3BSi5+ with a planar pentacoordinate boron was predicted. It is a global minimum structure formed by a Zn3 triangle facing a BSi5 wheel. Interestingly, it is dynamically fluxional at 600 K: the Zn3 triangle can rotate freely on the BSi5 wheel along the central axis. The two-layer Zn3BSi5+ cluster has 2σ/10σ/6π three-fold aromaticity, facilitating its dynamic fluxionality.
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