B3@Si12+: strong stabilizing effects of a triatomic cyclic boron unit on tubular silicon clusters1. Issue 11 (1st March 2018)

• Record Type: Journal Article
• Authors: Pham, Hung Tan; Dang, Thi Tuyet Mai; Van Duong, Long; Tam, Nguyen Minh; Nguyen, Minh Tho
• Is Part Of: Physical chemistry chemical physics. Volume 20:Issue 11(2018)
• Page Start: 7588
• Page End: 7592
• Publication Date: 2018-03-01
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/c8cp00380g
• Languages: English
• ISSNs: 1463-9076

Abstract

Abstract : Remarkably strong effects of the aromatic B3 cycle in stabilizing tubular silicon clusters were observed for the first time. 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 ( D 3h ). A large amount of electron density is transferred to the boron cycle, and the B3 δ − 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.