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锑键或锑中心的磷属键:作为磷属键供体的晶格中分子实体中键合的锑原子。

The Stibium Bond or the Antimony-Centered Pnictogen Bond: The Covalently Bound Antimony Atom in Molecular Entities in Crystal Lattices as a Pnictogen Bond Donor.

机构信息

Department of Chemical System Engineering, School of Engineering, The University of Tokyo, Tokyo 113-8656, Japan.

Molecular Sciences Institute, School of Chemistry, University of the Witwatersrand, Johannesburg 2050, South Africa.

出版信息

Int J Mol Sci. 2022 Apr 23;23(9):4674. doi: 10.3390/ijms23094674.

Abstract

A stibium bond, i.e., a non-covalent interaction formed by covalently or coordinately bound antimony, occurs in chemical systems when there is evidence of a net attractive interaction between the electrophilic region associated with an antimony atom and a nucleophile in another, or the same molecular entity. This is a pnictogen bond and are likely formed by the elements of the pnictogen family, Group 15, of the periodic table, and is an inter- or intra-molecular non-covalent interaction. This overview describes a set of illustrative crystal systems that were stabilized (at least partially) by means of stibium bonds, together with other non-covalent interactions (such as hydrogen bonds and halogen bonds), retrieved from either the Cambridge Structure Database (CSD) or the Inorganic Crystal Structure Database (ICSD). We demonstrate that these databases contain hundreds of crystal structures of various dimensions in which covalently or coordinately bound antimony atoms in molecular entities feature positive sites that productively interact with various Lewis bases containing O, N, F, Cl, Br, and I atoms in the same or different molecular entities, leading to the formation of stibium bonds, and hence, being partially responsible for the stability of the crystals. The geometric features, pro-molecular charge density isosurface topologies, and extrema of the molecular electrostatic potential model were collectively examined in some instances to illustrate the presence of Sb-centered pnictogen bonding in the representative crystal systems considered.

摘要

锑键,即由共价或配位键合的锑形成的非共价相互作用,当有证据表明与锑原子相关的亲电区域与另一个或同一分子实体中的亲核体之间存在净吸引力相互作用时,就会出现在化学系统中。这是一种磷属键,可能由元素周期表第 15 族的磷属元素形成,是一种分子间或分子内的非共价相互作用。本综述描述了一组说明性的晶体系统,这些系统至少部分是通过锑键以及其他非共价相互作用(如氢键和卤键)稳定的,这些相互作用是从剑桥结构数据库(CSD)或无机晶体结构数据库(ICSD)中检索到的。我们证明这些数据库包含数百个不同维度的晶体结构,其中共价或配位键合的锑原子在分子实体中具有阳性位点,这些阳性位点与同一或不同分子实体中的各种包含 O、N、F、Cl、Br 和 I 原子的路易斯碱进行有效相互作用,从而形成锑键,因此部分负责晶体的稳定性。在某些情况下,集体检查了几何特征、前分子电荷密度等位面拓扑和分子静电势模型的极值,以说明所考虑的代表性晶体系统中存在 Sb 中心的磷属键合。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3ff9/9099767/a2869fe0d017/ijms-23-04674-sch001.jpg

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