The Nature of Halogen•••Halogen Interactions: A Model Derived from Experimental Charge-Density Analysis

被引：342

作者：

Bui, Thai Thanh Thu ^{[1
]}

Dahaoui, Slimane ^{[1
]}

Lecomte, Claude ^{[1
]}

Desiraju, Gautam R. ^{[2
]}

Espinosa, Enrique ^{[1
]}

机构：

[1] Nancy Univ, Fac Sci & Tech, Lab Cristallog Resonance Magnet & Modelisat, UMR 7036, F-54506 Vandoeuvre Les Nancy, France

[2] Univ Hyderabad, Sch Chem, Hyderabad 500046, Andhra Pradesh, India

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2009年 / 48卷 / 21期

关键词：

charge density; chlorine; crystal engineering; halogen bonding; supramolecular chemistry; ELECTRON-DENSITY; CRYSTAL-STRUCTURE; INTERMOLECULAR INTERACTIONS; MOLECULAR CHLORINE; ORGANIC-MOLECULES; DIFFRACTION DATA; X-RAY; ENERGY; CL; DEFINITION;

D O I：

10.1002/anie.200805739

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Slightly attractive: The attractive and anisotropic nature of the Cl⋯Cl interaction in C6Cl6 is experimentally demonstrated from an expansion of the electron density Ρ(r) around the chlorine nuclei. The interaction is explained in a model in which there is a bonding attraction involving electron-deficient (see picture, blue) and electron-rich (red) regions of adjacent Cl atoms. © 2009 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：3838 / 3841

页数：4

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[2]

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