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Pure and Applied Chemistry

The Scientific Journal of IUPAC

Ed. by Burrows, Hugh / Weir, Ron / Stohner, Jürgen

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Definition of the halogen bond (IUPAC Recommendations 2013)

Gautam R. Desiraju1 / P. Shing Ho2 / Lars Kloo3 / Anthony C. Legon4 / Roberto Marquardt5 / Pierangelo Metrangolo6 / Peter Politzer7 / Giuseppe Resnati6 / Kari Rissanen8

1Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, India

2Department of Biochemistry and Molecular Biology, Colorado State University, Fort Collins, CO 80523-1870, USA

3Department of Chemistry, KTH Royal Institute of Technology, SE-100 44 Stockholm, Sweden

4School of Chemistry, University of Bristol, Bristol BS8 1TS, UK

5Laboratoire de Chimie Quantique, Institut de Chimie, Université de Strasbourg, 4, rue Blaise Pascal - CS90032, 67081 Strasbourg, France

6Laboratory of Nanostructured Fluorinated Materials (NFMLab), Department of Chemistry, Materials, and Chemical Engineering “Giulio Natta”, Politecnico di Milano, Milano 20131, Italy

7CleveTheoComp, 1951 W. 26th Street, Suite 409, Cleveland, OH 44113, USA

8Department of Chemistry, Nanoscience Center, University of Jyväskylä, P.O. Box 35, 40014 JYU, Finland

Project Year: 2009, Project Code: 2009-032-1-100

Citation Information: Pure and Applied Chemistry. Volume 85, Issue 8, Pages 1711–1713, ISSN (Online) 1365-3075, ISSN (Print) 0033-4545, DOI: 10.1351/PAC-REC-12-05-10, July 2013

Publication History

Published Online:

This recommendation proposes a definition for the term “halogen bond”, which designates a specific subset of the inter- and intramolecular interactions involving a halogen atom in a molecular entity.

Keywords: halogen bond; IUPAC Physical and Biophysical Chemistry Division; nomenclature; noncovalent inter-actions; self-assembly; supramolecular chemistry


  • 1

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    10.1351/pac199466051077, P. Muller. Pure Appl. Chem.66, 1077 (1994).

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    10.1351/pac199971101919, V. I. Minkin. Pure Appl. Chem.71, 1919 (1999).

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