Zn₃BSi₅⁺: a two-layer molecular rotor with a planar pentacoordinate boron.

Authors

Ya-Xuan Cheng, Li-Xia Bai, Jin-Chang Guo

Published in

Chemical communications (Cambridge, England). Jul 14, 2025. Epub Jul 14, 2025.

Abstract

The first silicon-based two-layer molecular rotor C_s 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.

PMID:
40654024
Bibliographic data and abstract were imported from PubMed on 14 Jul 2025.

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