The C-H...Cl hydrogen bond: Does it exist?

Aakeroy, C. B. and Evans, T. A. and Seddon, K. R. and Pálinkó, István (1999) The C-H...Cl hydrogen bond: Does it exist? NEW JOURNAL OF CHEMISTRY, 23 (2). pp. 145-152. ISSN 1144-0546

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Abstract

The extensive occurrence of C-H ... Cl hydrogen bonds has been established through a systematic statistical analysis of the Cambridge Crystallographic Database; chloride anions are shown to be better hydrogen-bond accepor systems than neutral chloride-containing molecules, and a similar situation pertains for the other halides. As a result of this study, we propose that the conceptual van der Waals cut-off criterion be dropped for establishing the presence of weak intermolecular and intramolecular interactions, and be replaced by a distance/angle criterion determined by the empirical approach outlined here.

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