Mutual Weakening of Hydrogen Bonds Between Hydrogen Fluoride and Proton Donors

被引：0

作者：

S. I. Kargov

E. G. Tarakanova

G. V. Yukhnevich

机构：

[1] Inorganic Chemistry,N. S. Kurnakov Institute of General and

[2] Russian Academy of Sciences,undefined

来源：

Journal of Structural Chemistry | 2004年 / 45卷

关键词：

hydrogen fluoride; hydrogen bond; mutual effects of H bonds;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

The mutual effect of hydrogen bonds in B⋯HF⋯(HHal)n complexes (Hal = F, Cl, Br, I; B = –, CH3CN, NH3; n = 1-3) was examined using the self-consistent field ab initio approach (6-31++G(d,p) and ECP-HW). When two and three equivalent H bonds are formed from the lone electron pairs of the fluorine atom of the HF molecule, the mutual weakening effect is 17% and 28%, respectively. The coefficients of the mutual effects of hydrogen bonds in HF⋯(HHal)2 and H2O⋯(HHal)2 bridges are close in magnitude.

引用

页码：212 / 216

页数：4

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