Articles liés à The Nature of the Hydrogen Bond: Outline of a Comprehensive...

The Nature of the Hydrogen Bond: Outline of a Comprehensive Hydrogen Bond Theory - Couverture rigide

Livre 10 sur 18: International Union of Crystallography Monographs on Crystallography

Gilli, Gastone; Gilli, Paola

 
9780199558964: The Nature of the Hydrogen Bond: Outline of a Comprehensive Hydrogen Bond Theory
Couverture rigide
ISBN 10 : 0199558965 ISBN 13 : 9780199558964
Editeur : Oxford University Press, 2009

Synopsis

Hydrogen bond (H-bond) effects are known: it makes sea water liquid, joins cellulose microfibrils in trees, shapes DNA into genes and polypeptide chains into wool, hair, muscles or enzymes. Its true nature is less known and we may still wonder why O-H...O bond energies range from less than 1 to more than 30 kcal/mol without apparent reason. This H-bond puzzle is re-examined here from its very beginning and presented as an inclusive compilation of experimental H-bond energies and geometries.
New concepts emerge from this analysis: new classes of systematically strong H-bonds (CAHBs and RAHBs: charge- and resonance-assisted H-bonds); full H-bond classification in six classes (the six chemical leitmotifs); and assessment of the covalent nature of strong H-bonds. This leads to three distinct but inter-consistent models able to rationalize the H-bond and predict its strength, based on classical VB theory, matching of donor-acceptor acid-base parameters (PA or pKa), or shape of the H-bond proton-transfer pathway.
Applications survey a number of systems where strong H-bonds play an important functional role, namely drug-receptor binding, enzymatic catalysis, ion-transport through cell membranes, crystal design and molecular mechanisms of functional materials.

Les informations fournies dans la section « Synopsis » peuvent faire référence à une autre édition de ce titre.

À propos de l'auteur

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


Dr Paola Gilli
Researcher of Physical Chemistry
University of Ferrara, Italy


Les informations fournies dans la section « A propos du livre » peuvent faire référence à une autre édition de ce titre.

Éditeur
Oxford University Press
Date d'édition
2009
Langue
anglais
ISBN 10 
0199558965
ISBN 13 
9780199558964
Reliure
Relié
Nombre de pages
330
Coordonnées du fabricant
non disponible
Personne responsable
Ufficio Anagrafiche Messaggerie
ufficio.anagrafiche@meli.it

Via Verdi, 8
Assago Milano
20090
Italie