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

Author:

Arunan Elangannan1,Desiraju Gautam R.2,Klein Roger A.3,Sadlej Joanna4,Scheiner Steve5,Alkorta Ibon6,Clary David C.7,Crabtree Robert H.8,Dannenberg Joseph J.9,Hobza Pavel10,Kjaergaard Henrik G.11,Legon Anthony C.12,Mennucci Benedetta13,Nesbitt David J.14

Affiliation:

1. 1Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India

2. 2Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560012, India

3. 330 Kimberley Road, Chesterton, Cambridge, CB4 1HH, UK

4. 4Department of Chemistry, Laboratory of Intermolecular Interactions, University of Warsaw, Warsaw, PL-02093, Poland

5. 5Department of Chemistry and Biochemistry, 0300 Old Main Hall, Utah State University, Logan, UT 84322, USA

6. 6Medicinal Chemistry Institute, Juan de la Cierva 3, Madrid E-28006, Spain

7. 7Department of Physical and Theoretical Chemistry, Oxford University, South Parks Road, Oxford OX1 3QZ, UK

8. 8Department of Chemistry, 225 Prospect Street, Yale University, New Haven, CT 06511-8499 USA

9. 9Department of Chemistry and Biochemistry, City University of New York, Hunter College, 695 Park Avenue, New York, NY 10065, USA

10. 10Institute of Organic and Biochemistry, Academy of Sciences of Czech Republic, Flemingovo nam 2, Praha CZ 16610, Czech Republic

11. 11Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø, Denmark

12. 12School of Chemistry, University of Bristol, Bristol BS8 1TS, UK

13. 13Department of Chemistry, University of Pisa, Via Risorgimento 35 Pisa 1-56125, Italy

14. 14Department of Chemistry and Biochemistry, University of Colorado, Boulder, CO 80309, USA

Abstract

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.

Publisher

Walter de Gruyter GmbH

Subject

General Chemical Engineering,General Chemistry

Reference164 articles.

1. molstruc;Kolandaivel;Mol Struct,2004

2. ar;Gilli;Chem Res,2009

3. annurev physchem;Perrin;Annu Rev Phys Chem,1997

4. theochem;Garner;Mol Struct,2003

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号  京ICP备18003416号-3