Fluoride ligands exhibit marked departures from the hydrogen bond acceptor behavior of their heavier halogen congeners

被引：86

作者：

Brammer, L

Bruton, EA

Sherwood, P

机构：

[1] Univ Missouri, Dept Chem, St Louis, MO 63121 USA

[2] SERC, Daresbury Lab, CLRC, Computat Sci & Engn Dept, Warrington WA4 4AD, Cheshire, England

来源：

NEW JOURNAL OF CHEMISTRY | 1999年 / 23卷 / 10期

关键词：

D O I：

10.1039/a906512a

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Much shorter hydrogen bonds with unexpected directional properties are formed by fluoride ligands in comparison to their heavier halogen congeners (X = Cl, Br, I). Ab initio calculations elucidate, the underlying electronic origin of this geometric behavior. The viability of hydrogen bonding is clearly established for all donor-acceptor combinations, D-H...X-M (D = C, N, O; X = F, Cl, Br, I).

引用

页码：965 / 968

页数：4

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