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The Nature of the Hydrogen Bond – Outline of a Comprehensive Hydrogen Bond Theory - Oxford Scholarship Online
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The Nature of the Hydrogen Bond: Outline of a Comprehensive Hydrogen Bond Theory

Gastone Gilli and Paola Gilli


Hydrogen bond (H-bond) effects are well known: it makes sea water liquid, joins cellulose microfibrils in sequoia trees, shapes DNA into chromosomes, and polypeptide chains into wool, hair, muscles, or enzymes. However, its very nature is much less known and we may still wonder why O-H···O energies range from less than 1 to more than 30 kcal/mol without evident reason. This H-bond puzzle is tackled here by a new approach aimed to obtain full rationalization and comprehensive interpretation of the H-bond in terms of classical chemical-bond theories starting from the very root of the problem, an ... More

Keywords: H-bond puzzle, thermodynamic databases, structural databases, chemical leitmotifs, charge-assisted H-bond, resonance-assisted H-bond, electrostatic-covalent H-bond model, equalization principle, transition-state H-bond theory, functional H-bonds

Bibliographic Information

Print publication date: 2009 Print ISBN-13: 9780199558964
Published to Oxford Scholarship Online: September 2009 DOI:10.1093/acprof:oso/9780199558964.001.0001


Affiliations are at time of print publication.

Gastone Gilli, author
Full Professor of Physical Chemistry, Director of the Centre for Structural Diffractometry, University of Ferrara, Italy

Paola Gilli, author
Department of Chemistry, University of Ferrara, Italy