Jump to ContentJump to Main Navigation
Show Summary Details
More options …

Pure and Applied Chemistry

The Scientific Journal of IUPAC

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

12 Issues per year


IMPACT FACTOR 2016: 2.626
5-year IMPACT FACTOR: 3.210

CiteScore 2016: 2.45

SCImago Journal Rank (SJR) 2016: 0.972
Source Normalized Impact per Paper (SNIP) 2016: 1.049

Online
ISSN
1365-3075
See all formats and pricing
More options …
Volume 83, Issue 8 (Jul 2011)

Issues

Defining the hydrogen bond: An account (IUPAC Technical Report)

Elangannan Arunan
  • Corresponding author
  • Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India
/ Gautam R. Desiraju
  • Corresponding author
  • Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560012, India
/ Roger A. Klein
  • Corresponding author
  • 30 Kimberley Road, Chesterton, Cambridge, CB4 1HH, UK
/ Joanna Sadlej
  • Corresponding author
  • Department of Chemistry, Laboratory of Intermolecular Interactions, University of Warsaw, Warsaw, PL-02093, Poland
/ Steve Scheiner
  • Corresponding author
  • Department of Chemistry and Biochemistry, 0300 Old Main Hall, Utah State University, Logan, UT 84322, USA
/ Ibon Alkorta
  • Corresponding author
  • Medicinal Chemistry Institute, Juan de la Cierva 3, Madrid E-28006, Spain
/ David C. Clary
  • Corresponding author
  • Department of Physical and Theoretical Chemistry, Oxford University, South Parks Road, Oxford OX1 3QZ, UK
/ Robert H. Crabtree
  • Corresponding author
  • Department of Chemistry, 225 Prospect Street, Yale University, New Haven, CT 06511-8499 USA
/ Joseph J. Dannenberg
  • Corresponding author
  • Department of Chemistry and Biochemistry, City University of New York, Hunter College, 695 Park Avenue, New York, NY 10065, USA
/ Pavel Hobza
  • Corresponding author
  • Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India
  • Institute of Organic and Biochemistry, Academy of Sciences of Czech Republic, Flemingovo nam 2, Praha CZ 16610, Czech Republic
/ Henrik G. Kjaergaard
  • Corresponding author
  • Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India
  • Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø, Denmark
/ Anthony C. Legon
  • Corresponding author
  • Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India
  • School of Chemistry, University of Bristol, Bristol BS8 1TS, UK
/ Benedetta Mennucci
  • Corresponding author
  • Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India
  • Department of Chemistry, University of Pisa, Via Risorgimento 35 Pisa 1-56125, Italy
/ David J. Nesbitt
  • Corresponding author
  • Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India
  • Department of Chemistry and Biochemistry, University of Colorado, Boulder, CO 80309, USA
Published Online: 2011-07-08 | DOI: https://doi.org/10.1351/PAC-REP-10-01-01

The term “hydrogen bond” has been used in the literature for nearly a century now. While its importance has been realized by physicists, chemists, biologists, and material scientists, there has been a continual debate about what this term means. This debate has intensified following some important experimental results, especially in the last decade, which questioned the basis of the traditional view on hydrogen bonding. Most important among them are the direct experimental evidence for a partial covalent nature and the observation of a blue-shift in stretching frequency following XH···Y hydrogen bond formation (XH being the hydrogen bond donor and Y being the hydrogen bond acceptor). Considering the recent experimental and theoretical advances, we have proposed a new definition of the hydrogen bond, which emphasizes the need for evidence. A list of criteria has been provided, and these can be used as evidence for the hydrogen bond formation. This list is followed by some characteristics that are observed in typical hydrogen-bonding environments.

Keywords: bonding; electrostatic interactions; hydrogen bonding; IUPAC Physical and Biophysical Chemistry Division; molecular interactions; noncovalent interactions

Project Year: 2004, Project Code: 2004-026-2-100

References

About the article

Published Online: 2011-07-08

Published in Print: 2011-07-08


Citation Information: Pure and Applied Chemistry, ISSN (Online) 1365-3075, ISSN (Print) 0033-4545, DOI: https://doi.org/10.1351/PAC-REP-10-01-01.

Export Citation

© 2013 Walter de Gruyter GmbH, Berlin/Boston. Copyright Clearance Center

Comments (0)

Please log in or register to comment.
Log in