Directional Weak Intermolecular Interactions: σ-Hole Bonding

被引：233

作者：

Murray, Jane S. ^{[5
]}

Riley, Kevin E. ^{[4
]}

Politzer, Peter ^{[5
]}

Clark, Timothy ^{[1
,2
,3
]}

机构：

[1] Univ Erlangen Nurnberg, Comp Chem Ctr, D-91052 Erlangen, Germany

[2] Univ Erlangen Nurnberg, Interdisciplinary Ctr Mol Mat, D-91052 Erlangen, Germany

[3] Univ Portsmouth, Ctr Mol Design, Portsmouth PO1 2EG, Hants, England

[4] Univ Puerto Rico, Dept Chem, Rio Piedras, PR 00931 USA

[5] CleveTheoComp LLC, Cleveland, OH 44126 USA

来源：

AUSTRALIAN JOURNAL OF CHEMISTRY | 2010年 / 63卷 / 12期

关键词：

HALOGEN BONDS; HYDROGEN-BOND; ELECTROSTATIC POTENTIALS; MOLECULAR CHLORINE; CRYSTAL-STRUCTURE; LIGAND-BINDING; ATOMIC CHARGES; COMPLEXES; ELECTROPHILES; FLUOROCARBONS;

D O I：

10.1071/CH10259

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The prototypical directional weak interactions, hydrogen bonding and sigma-hole bonding (including the special case of halogen bonding) are reviewed in a united picture that depends on the anisotropic nature of the molecular electrostatic potential around the donor atom. Qualitative descriptions of the effects that lead to these anisotropic distributions are given and examples of the importance of sigma-hole bonding in crystal engineering and biological systems are discussed.

引用

页码：1598 / 1607

页数：10

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