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Article << Previous     |     Next >>   Contents Vol 63(12)

Directional Weak Intermolecular Interactions: σ-Hole Bonding

Jane S. Murray A , Kevin E. Riley B , Peter Politzer A and Timothy Clark C D

A CleveTheoComp LLC, 1951 W. 26th Street, Suite 409, Cleveland, OH 44126, USA.
B Department of Chemistry, PO Box 23346, University of Puerto Rico, Rio Piedras, PR 00931, Puerto Rico.
C Computer-Chemie-Centrum and Interdisciplinary Center for Molecular Materials, Friedrich-Alexander-Universität, Erlangen-Nürnberg, Nägelsbachstrasse 25, 91052 Erlangen, Germany.
D Centre for Molecular Design, University of Portsmouth, Mercantile House, Portsmouth, PO1 2EG, UK.
E Corresponding author. Email: tim.clark@chemie.uni-erlangen.de

Australian Journal of Chemistry 63(12) 1598-1607 http://dx.doi.org/10.1071/CH10259
Submitted: 7 July 2010  Accepted: 3 October 2010   Published: 6 December 2010


 
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Abstract

The prototypical directional weak interactions, hydrogen bonding and σ-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 σ-hole bonding in crystal engineering and biological systems are discussed.





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