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Definition of the hydrogen bond (IUPAC Recommendations 2011)

Pure and Applied Chemistry · 2011 · Vol. 83(8) · pp. 1637–1641

E. Arunan✉(Indian Institute of Science Bangalore)Gautam R. Desiraju(Indian Institute of Science Bangalore)Roger A. KleinJoanna Sadlej(University of Warsaw)Steve Scheiner(Utah State University)Ibón AlkortaDavid C. Clary(University of Oxford)Robert H. Crabtree(Yale University)Joseph J. Dannenberg(City University of New York)Pavel Hobza(Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry)Henrik G. Kjaergaard(University of Copenhagen)A. C. Legon(University of Bristol)Benedetta Mennucci(University of Pisa)David J. Nesbitt(University of Colorado Boulder)

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Abstract

A novel definition for the hydrogen bond is recommended here. It takes into account the theoretical and experimental knowledge acquired over the past century. This definition insists on some evidence. Six criteria are listed that could be used as evidence for the presence of a hydrogen bond.

Crystallography and molecular interactions Various Chemistry Research Topics Chemical Thermodynamics and Molecular StructureChemistryChemical nomenclatureBondHydrogen bondHydrogenComputational chemistryEpistemologyOrganic chemistryMoleculeBusiness

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