The unique sandwich K 6 Be 2 B 6 H 6 cluster with a real borozene B 6 H 6 core.

Autor: Wang YJ; Department of Chemistry, Xinzhou Teachers University Xinzhou 034000 Shanxi China yingjinwang@sxu.edu.cn hj.zhai@sxu.edu.cn.; Nanocluster Laboratory, Institute of Molecular Science, Shanxi University Taiyuan 030006 China., Feng LY; Department of Chemistry, Xinzhou Teachers University Xinzhou 034000 Shanxi China yingjinwang@sxu.edu.cn hj.zhai@sxu.edu.cn.; Nanocluster Laboratory, Institute of Molecular Science, Shanxi University Taiyuan 030006 China., Yan M; Department of Chemistry, Xinzhou Teachers University Xinzhou 034000 Shanxi China yingjinwang@sxu.edu.cn hj.zhai@sxu.edu.cn., Miao CQ; Department of Chemistry, Xinzhou Teachers University Xinzhou 034000 Shanxi China yingjinwang@sxu.edu.cn hj.zhai@sxu.edu.cn., Feng SQ; Department of Chemistry, Xinzhou Teachers University Xinzhou 034000 Shanxi China yingjinwang@sxu.edu.cn hj.zhai@sxu.edu.cn., Zhai HJ; Nanocluster Laboratory, Institute of Molecular Science, Shanxi University Taiyuan 030006 China.
Jazyk: angličtina
Zdroj: RSC advances [RSC Adv] 2022 Mar 18; Vol. 12 (14), pp. 8617-8623. Date of Electronic Publication: 2022 Mar 18 (Print Publication: 2022).
DOI: 10.1039/d2ra00692h
Abstrakt: Theoretical evidence is reported for a boron-based K 6 Be 2 B 6 H 6 sandwich cluster, showing a perfectly D 6h B 6 H 6 ring, being capped by two tetrahedral K 3 Be ligands. Due to the comfortable charge transfer, the sandwich is viable in [K 3 Be] 3+ [B 6 H 6 ] 6- [BeK 3 ] 3+ ionic complex in nature. The [B 6 H 6 ] 6- core with 6π aromaticity vividly imitates the benzene (C 6 H 6 ), occurring as a real borozene. In contrast, the tetrahedral [K 3 Be] 3+ ligand is 2σ three-dimensional aromatic, acting as the simple superatom. Thus, this complex possesses a collectively three-fold 2σ/6π/2σ aromaticity. The interlaminar interaction is governed by the robust electrostatic attraction. The unique chemical bonding gives rise to interesting dynamic fluxionality.
Competing Interests: There are no conflicts to declare.
(This journal is © The Royal Society of Chemistry.)
Databáze: MEDLINE
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