Boron-based ternary Rb6Be2B6 cluster featuring unique sandwich geometry and a naked hexagonal boron ring

文献情報

出版日 2020-09-01

DOI 10.1039/D0CP03123B

インパクトファクター 3.676

著者

Lin-Yan Feng, Li Xu, Xiang-Ru Hou, Nan Li, Chang-Qing Miao, Hua-Jin Zhai

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要旨

Computational evidence is reported on a boron-based ternary Rb6Be2B6 cluster as the “Big Mac” sandwich on a subnanoscale with thickness of 0.58 nm. The core hexagonal B6 ring, occurring in the naked form due to double 6π/6σ aromaticity, is capped by two tetrahedral BeRb3 ligands. Such a B6 motif is scarce in boron clusters. The sandwich cluster has four-fold 2σ/6π/6σ/2σ aromaticity and its tetrahedral BeRb3 ligand is the simplest case of three-dimensional aromaticity (or spherical aromaticity). The sandwich can be formulated as a charge-transfer complex, [Rb3Be]3+[B6]6−[BeRb3]3+, whose components are held together by robust electrostatics, facilitating dual-mode dynamic fluxionality.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

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