Halogen acceptors in hydrogen bonding

Attila Kovács, Zoltán Varga

Research output: Contribution to journalReview articlepeer-review

173 Scopus citations


This review provides a comparative assessment of hydrogen bonding (HB) interactions with halogen (X) acceptors. Based on the data available in the literature we selected various inter- and intramolecular systems, for which (possibly) all the four halogen derivatives have been studied either by experimental or theoretical methods. Four main acceptor types have been considered in our assessment, viz., free X- anions, halogens involved in MX (M = transition metal), HX and CX bonds. The hydrogen donors in the HB systems (DH) included the simple H2O, NH3, HX, H 2 molecules, various alcohols, amines as well as aliphatic and aromatic CH groups. Among the molecular properties we focussed on the HB energy and structural characteristics (at the first place on the H⋯X distance), which are particularly informative on the HB propensities of the halogens. Where available, the shift of the DH stretching frequency (νDH) involved in the HB interaction is also discussed.

Original languageEnglish (US)
Pages (from-to)710-727
Number of pages18
JournalCoordination Chemistry Reviews
Issue number5-6
StatePublished - Mar 2006

Bibliographical note

Funding Information:
Financial support from the Hungarian Scientific Research Foundation (OTKA No. T046183) and computational time from the National Information Infrastructure Development Program of Hungary is gratefully acknowledged. A.K. thanks the Bolyai Foundation for support.

Copyright 2018 Elsevier B.V., All rights reserved.


  • Geometry
  • Halogen acceptor
  • Hydrogen bonding
  • Hydrogen bonding energy


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