多面体二硼烷的外取代导致的硫属元素键合。

Chalcogen Bonding due to the Exo-Substitution of Icosahedral Dicarbaborane.

机构信息

Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Flemingovo nam. 2, 166 10 Prague 6, Czech Republic.

Institute of Inorganic Chemistry of the Czech Academy of Sciences, 250 68 Husinec-Řež, Czech Republic.

出版信息

Molecules. 2019 Jul 23;24(14):2657. doi: 10.3390/molecules24142657.

DOI:10.3390/molecules24142657

PMID:31340435

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6680755/

Abstract

Chalcogen atoms are a class of substituents capable of generating inner and outer derivatives of boron clusters. It is well known that chalcogenated boron clusters can form strong σ-hole interactions when a chalcogen atom is a part of an icosahedron. This paper studies σ-hole interactions of dicarbaboranes with two exopolyhedral chalcogen atoms bonded to carbon vertices. Specifically, a computational investigation has been carried out on the co-crystal of (1,2-CBH)Se•toluene and a single crystal of (1,2-CBH)Te.

摘要

硫属原子是一类能够生成硼簇内外取代物的取代基。众所周知，当硫属原子是二十面体的一部分时，硫属化硼簇可以形成强的σ-hole 相互作用。本文研究了与两个外多面硫属原子键合到碳顶点的二碳硼烷的σ-hole 相互作用。具体来说，对(1,2-CBH)Se·甲苯共晶和(1,2-CBH)Te 单晶进行了计算研究。