B3@Si12+: strong stabilizing effects of a triatomic cyclic boron unit on tubular silicon clusters

文献情報

出版日 2018-02-19

DOI 10.1039/C8CP00380G

インパクトファクター 3.676

著者

Hung Tan Pham, Thi Tuyet Mai Dang, Long Van Duong

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要旨

Remarkably strong effects of the aromatic B3 cycle in stabilizing tubular silicon clusters were observed for the first time. The doped cluster B3@Si12+ presents a novel structural motif for silicon clusters in which a B3 cycle is encapsulated into a (6 × 2) Si12 prism giving rise to a high symmetry stable tubular structure (D3h). A large amount of electron density is transferred to the boron cycle, and the B3δ− unit not only retains a delocalized bonding pattern within the Si12 prism but also enables a two-fold aromaticity for the resulting silicon double ring. This double ring can be used as a building block to make longer nanotubes.

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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