一种具有相邻锑原子的新型锑碳硼烷簇合物，其呈现出独特的氮族元素键形成，这种键形成主导了其晶体堆积。

A novel stibacarbaborane cluster with adjacent antimony atoms exhibiting unique pnictogen bond formation that dominates its crystal packing.

作者信息

Holub Josef, Melichar Petr, Růžičková Zdeňka, Vrána Jan, Wann Derek A, Fanfrlík Jindřich, Hnyk Drahomír, Růžička Aleš

机构信息

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

出版信息

Dalton Trans. 2017 Oct 17;46(40):13714-13719. doi: 10.1039/c7dt02845h.

DOI:10.1039/c7dt02845h

PMID:28956033

Abstract

We have prepared nido-7,8,9,11-SbCBH, the first cluster with simultaneous Sb-B, Sb-C and Sb-Sb atom pairs with interatomic separations with magnitudes that approach the respective sums of covalent radii. However, the length of the Sb-Sb separation in this cluster is slightly less than the sum of the covalent radii. Quantum chemical analysis has revealed that the crystal packing of nido-7,8,9,11-SbCBH is predominantly dictated by pnictogen (Pn) bonding, an unconventional σ-hole interaction. Indeed, the interaction energy of a very strong SbH-B Pn-bond in the nido-7,8,9,11-SbCBH dimer exceeds -6.0 kcal mol. This is a very large value and is comparable to the strengths of known Pn-bonds in ClPnπ complexes (Pn = As, Sb).

摘要

我们制备了巢式-7,8,9,11-SbCBH，这是首个同时含有锑-硼、锑-碳和锑-锑原子对的簇合物，其原子间间距的大小接近相应共价半径之和。然而，该簇合物中锑-锑间距的长度略小于共价半径之和。量子化学分析表明，巢式-7,8,9,11-SbCBH的晶体堆积主要由主族元素（Pn）键主导，这是一种非常规的σ-空穴相互作用。事实上，巢式-7,8,9,11-SbCBH二聚体中一个非常强的锑氢-硼主族元素键的相互作用能超过-6.0千卡/摩尔。这是一个非常大的值，与已知的ClPnπ配合物（Pn = As，Sb）中的主族元素键强度相当。