Please use this identifier to cite or link to this item: https://dspace.ctu.edu.vn/jspui/handle/123456789/12609
Title: B₃@Si₁₂⁺: strong stabilizing effects of a triatomic cyclic boron unit on tubular silicon clusters.
Authors: Pham, Tan Hung
Đặng, Thị Tuyết Mai
Nguyen, Minh Tam
Nguyen, Minh Tho
Duong, Van Long
Issue Date: 2018
Series/Report no.: Physical Chemistry Chemical Physics;20 .- p. 7588-7592
Abstract: 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.
URI: http://dspace.ctu.edu.vn/jspui/handle/123456789/12609
Appears in Collections:Tạp chí quốc tế

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