The halogen bond made visible: experimental charge density of a very short 
intermolecular Cl•••Cl donor–acceptor contact

Wang, Ruimin; Dols, Thomas; Lehmann, Christian W.; Englert , Ulli

doi:10.1039/c2cc32647g

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The halogen bond made visible: experimental charge density of a very short intermolecular Cl•••Cl donor–acceptor contact

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Dols, Thomas
Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, D-52074 Aachen, Germany ;
Service Department Lehmann (EMR), Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Lehmann, Christian W.
Service Department Lehmann (EMR), Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Citation

Wang, R., Dols, T., Lehmann, C. W., & Englert, U. (2012). The halogen bond made visible: experimental charge density of a very short intermolecular Cl•••Cl donor–acceptor contact. Chemical Communications, 48(54), 6830-6832. doi:10.1039/c2cc32647g.

Cite as: https://hdl.handle.net/11858/00-001M-0000-000E-EC35-9

Abstract

[ZnCl₂(3,4,5-trichloropyridine)₂] features short intermolecular Cl...Cl contacts between halogen atoms of different nature, and a charge density study provides experimental evidence for the accepted model of the halogen bonds: an arene-bonded Cl atom acts as a donor of electron density towards the “sigma hole” of a chlorido ligand attached to a neighbouring Zn(_II) cation.