Sigma-hole造成的次级键作用在p区结构化学中有十分重要的作用。立足于此类相互作用的催化等应用也因此应运而生。此文简单地介绍一下此类相互作用。 Ref: ①Lim and Beer, Sigma-Hole Interactions in Anion Recog…
在sigma-hole作用的规律中，氮唑阳离子扮演了核心角色，它表现出三种主要的次级作用：芳环氢键、阴离子-π+电荷作用以及卤键，这些作用力抗衡了阴离子的聚合趋势（图A）。卤键，包括经典的卤键、索烃生成、超分子识别和click反应，是分子间相互作用力之一，强度受溶剂和电荷密度影响。在不同溶剂中，如丙酮...
用Multiwfn+VMD可以极其容易地绘制，看 使用Multiwfn+VMD快速地绘制静电势着色的分子范德华表面图和分子间...
Named after the donor atom's group, the σ-hole interactions, halogen bonding, and chalcogen bonding with anionic species have found ground-breaking applications in anion supramolecular chemistry within the last decade. In this review, we feature key recent discoveries and advances across the whole ...
Hydrogen bonding can also be regarded as a special case of sigma-hole bonding, although in this case the origin of the sigma-hole is rationalized differently than in the heavier elements. Phenomena such as the directionality of hydrogen bonds and 'blue-shifted' hydrogen bonds can be explained ...
The term "sigma-hole" originally referred to the electron-deficient outer lobe of a half-filled p (or nearly p) orbital involved in forming a covalent bond. If the electron deficiency is sufficient, there can result a region of positive electrostatic potential which can interact attractively (no...
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