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

Christer B. Aakeröy, Timothy A. Evans, Kenneth R. Seddon, István Pálinkó

Research output: Contribution to journalArticle

300 Citations (Scopus)


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 acceptor 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.

Original languageEnglish
Pages (from-to)145-152
Number of pages8
JournalNew Journal of Chemistry
Issue number2
Publication statusPublished - Jan 1 1999

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Materials Chemistry

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