Boron-based ternary Rb6Be2B6 cluster featuring unique sandwich geometry and a naked hexagonal boron ring
| Autor: | Li Xu, Chang-Qing Miao, Hua-Jin Zhai, Ying-Jin Wang, Nan Li, Lin-Yan Feng, Xiang-Ru Hou |
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| Rok vydání: | 2020 |
| Předmět: |
Materials science
Ligand General Physics and Astronomy chemistry.chemical_element Aromaticity 02 engineering and technology Spherical aromaticity 010402 general chemistry 021001 nanoscience & nanotechnology Ring (chemistry) 01 natural sciences 0104 chemical sciences Crystallography chemistry Cluster (physics) Tetrahedron Physical and Theoretical Chemistry 0210 nano-technology Ternary operation Boron |
| Zdroj: | Physical Chemistry Chemical Physics. 22:20043-20049 |
| ISSN: | 1463-9084 1463-9076 |
| DOI: | 10.1039/d0cp03123b |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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