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The nature of halogen...halogen interactions: a model derived from experimental charge-density analysis.

作者信息

Bui Thai Thanh Thu, Dahaoui Slimane, Lecomte Claude, Desiraju Gautam R, Espinosa Enrique

机构信息

Laboratoire de Cristallographie, Résonance Magnétique et Modélisations (UMR 7036), Nancy Université, Faculté des Sciences et Techniques, BP 239, Boulevard des Aiguillettes, 54506 Vandoeuvre-lès-Nancy, France.

出版信息

Angew Chem Int Ed Engl. 2009;48(21):3838-41. doi: 10.1002/anie.200805739.

Abstract

Slightly attractive: The attractive and anisotropic nature of the ClCl interaction in C(6)Cl(6) is experimentally demonstrated from an expansion of the electron density rho(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.

摘要

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