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The Nature of the Hydrogen Bond$
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Gastone Gilli and Paola Gilli

Print publication date: 2009

Print ISBN-13: 9780199558964

Published to Oxford Scholarship Online: September 2009

DOI: 10.1093/acprof:oso/9780199558964.001.0001

GENERALITIES, DEFINITIONS AND PRELIMINARY CLASSIFICATION

Chapter:
(p. 23 ) 2 GENERALITIES, DEFINITIONS AND PRELIMINARY CLASSIFICATION
Source:
The Nature of the Hydrogen Bond
Author(s):

Gastone Gilli

Paola Gilli

Publisher:
Oxford University Press
DOI:10.1093/acprof:oso/9780199558964.003.0003

The classical H-bond definitions by Latimer and Rodebush (1920), Pimentel (1960), and Vinogradov and Linnel (1971) are compared in the frame of the Coulson's VB formalism. The H-bond is eventually defined as a three-centre-four-electron shared-proton interaction which excludes the three-centre-two electron interactions typical of agostic and borane bonds. Two types of H-bond classifications are considered, the first based on purely chemical criteria (following the previous scheme by Desiraju and Steiner, 1999) and the second on the H-bond physical properties (originally proposed by Jeffrey, 1997). The chemical classification is inclusive of the H-bonds formed by both main-group and metal elements, and pays particular attention to less common bonds and to the accurate classification of strong H-bonds. All classes are separately described with particular concern for geometries and energies of the most typical bonds made.

Keywords:   H-bond nomenclature, H-bond definition, shared-proton interactions, three-centre-four-electron, three-centre-two-electron, chemical classification, properties classification, H-bond chemical classes, metal H-bonds

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