The hydrogen bond

被引：319

作者：

Buckingham, A. D. ^{[1
]}

Del Bene, J. E. ^{[2
]}

McDowell, S. A. C. ^{[1
,3
]}

机构：

[1] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England

[2] Youngstown State Univ, Dept Chem, Youngstown, OH 44555 USA

[3] Univ W Indies, Dept Biol & Chem Sci, Bridgetown, Barbados

来源：

CHEMICAL PHYSICS LETTERS | 2008年 / 463卷 / 1-3期

关键词：

D O I：

10.1016/j.cplett.2008.06.060

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The concept of the hydrogen bond is a century old but remains youthful because of its vital role in so many branches of science and because of continued advances in experiment, theory and simulation. We discuss the structural and energetic characteristics of normal hydrogen bonds X-H...Y as well as some exceptions to the normal, including proton-shared and ion-pair bonds. We consider the harmonic and anharmonic vibration of X-H in a variety of complexes, and demonstrate that there is no fundamental difference between blue-shifting and red-shifting bonds. We discuss water clusters and liquid water and indicate possible directions of future progress. (c) 2008 Elsevier B.V. All rights reserved

引用

页码：1 / 10

页数：10

共 97 条

[11] A THEORY OF FREQUENCY, INTENSITY AND BAND-WIDTH CHANGES DUE TO SOLVENTS IN INFRA-RED SPECTROSCOPY [J].

BUCKINGHAM, AD .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1960, 255 (1280) :32-39

[12] SOLVENT EFFECTS IN VIBRATIONAL SPECTROSCOPY [J].

BUCKINGHAM, AD .

TRANSACTIONS OF THE FARADAY SOCIETY, 1960, 56 (06) :753-760

[13] SOLVENT EFFECTS IN INFRA-RED SPECTROSCOPY [J].

BUCKINGHAM, AD .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1958, 248 (1253) :169-182

[14] THE STATISTICAL MECHANICS OF IMPERFECT POLAR GASES .2. DIELECTRIC POLARIZATION [J].

BUCKINGHAM, AD ;

POPLE, JA .

TRANSACTIONS OF THE FARADAY SOCIETY, 1955, 51 (09) :1179-1183

[15]

Buckingham AD., 1981, Int Rev Phys Chem, V1, P253

[16]

BUDESINSKY M, 1989, SYNTHESIS-STUTTGART, P858

[17] Predictions of the properties of water from first principles [J].

Bukowski, Robert ;

Szalewicz, Krzysztof ;

Groenenboom, Gerrit C. ;

van der Avoird, Ad .

SCIENCE, 2007, 315 (5816) :1249-1252

[18] Interaction potential for water dimer from symmetry-adapted perturbation theory based on density functional description of monomers [J].

Bukowski, Robert ;

Szalewicz, Krzysztof ;

Groenenboom, Gerrit ;

van der Avoird, Ad .

JOURNAL OF CHEMICAL PHYSICS, 2006, 125 (04)

[19] Lowest-energy structures of water clusters (H2O)11 and (H2O)13 [J].

Bulusu, Satya ;

Yoo, Soohaeng ;

Apra, Edo ;

Xantheas, Sotiris ;

Zeng, Xiao Cheng .

JOURNAL OF PHYSICAL CHEMISTRY A, 2006, 110 (42) :11781-11784

[20]

Caminati W, 1999, ANGEW CHEM INT EDIT, V38, P2924, DOI 10.1002/(SICI)1521-3773(19991004)38:19<2924::AID-ANIE2924>3.0.CO

← 1 2 3 4 5 6 7 8 9 10 →