Definition of the hydrogen bond (IUPAC Recommendations 2011)

被引：1499

作者：

Arunan, Elangannan ^{[1
]}

Desiraju, Gautam R. ^{[2
]}

Klein, Roger A.

Sadlej, Joanna ^{[3
]}

Scheiner, Steve ^{[4
]}

Alkorta, Ibon ^{[5
]}

Clary, David C. ^{[6
]}

Crabtree, Robert H. ^{[7
]}

Dannenberg, Joseph J. ^{[8
]}

Hobza, Pavel ^{[9
]}

Kjaergaard, Henrik G. ^{[10
]}

Legon, Anthony C. ^{[11
]}

Mennucci, Benedetta ^{[12
]}

Nesbitt, David J. ^{[13
]}

机构：

[1] Indian Inst Sci, Dept Inorgan & Phys Chem, Bangalore 560012, Karnataka, India

[2] Indian Inst Sci, Solid State & Struct Chem Unit, Bangalore 560012, Karnataka, India

[3] Univ Warsaw, Lab Intermol Interact, Dept Chem, PL-02093 Warsaw, Poland

[4] Utah State Univ, Dept Chem & Biochem, Logan, UT 84322 USA

[5] Inst Med Chem, E-28006 Madrid, Spain

[6] Univ Oxford, Dept Phys & Theoret Chem, Oxford OX1 3QZ, England

[7] Yale Univ, Dept Chem, New Haven, CT 06511 USA

[8] CUNY Hunter Coll, Dept Chem & Biochem, New York, NY 10065 USA

[9] Acad Sci Czech Republic, Inst Organ & Biochem, CZ-16610 Prague, Czech Republic

[10] Univ Copenhagen, Dept Chem, DK-2100 Copenhagen O, Denmark

[11] Univ Bristol, Sch Chem, Bristol BS8 1TS, Avon, England

[12] Univ Pisa, Dept Chem, I-56125 Pisa, Italy

[13] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA

来源：

PURE AND APPLIED CHEMISTRY | 2011年 / 83卷 / 08期

关键词：

bonding; charge transfer; hydrogen bond; IUPAC Physical and Biophysical Chemistry Division; molecular interactions; noncovalent interactions;

D O I：

10.1351/PAC-REC-10-01-02

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：1637 / 1641

页数：5

共 1 条

[1] Defining the hydrogen bond: An account (IUPAC Technical Report) [J].

Arunan, Elangannan ;

Desiraju, Gautam R. ;

Klein, Roger A. ;

Sadlej, Joanna ;

Scheiner, Steve ;

Alkorta, Ibon ;

Clary, David C. ;

Crabtree, Robert H. ;

Dannenberg, Joseph J. ;

Hobza, Pavel ;

Kjaergaard, Henrik G. ;

Legon, Anthony C. ;

Mennucci, Benedetta ;

Nesbitt, David J. .

PURE AND APPLIED CHEMISTRY, 2011, 83 (08) :1619-1636

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