期刊
CHEMICAL PHYSICS LETTERS
卷 467, 期 4-6, 页码 393-397出版社
ELSEVIER
DOI: 10.1016/j.cplett.2008.11.017
关键词
-
Density functional investigation has been performed to explore structural and electronic properties of sigma-hole bonded complexes formed from the interaction between NH3, H2O and HF as nucleophile and molecules containing sigma-hole atom of groups V-VII. It is found that the strength of interaction decreases in the order of Cl > S > P and Br > Se > As. This interaction is comparable or even stronger than the normal hydrogen bonding, however in the case where the nucleophile is not aligned in proper orientation with respect to the sigma-hole atom the hydrogen bonding is preferred. The role of electrostatic potential in formation of sigma-hole complex is also demonstrated and discussed. (C) 2008 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据