Nature of the Hydrogen Bond - Outline of a Comprehensive Hydrogen Bond Theory

Zusatztext A real contribution to the field. Informationen zum Autor Gastone GilliFull Professor of Physical Chemistry and Director of the Centre for Structural DiffractometryUniversity of Ferrara, ItalyDr Paola GilliResearcher of Physical Chemistry University of Ferrara, Italy Klappentext This book defines, for the first time, the rules for predicting H-bond energies and geometries from the properties of the interacting molecules. This new knowledge is used to investigate the molecular mechanisms in systems relevant to chemistry, biochemistry, pharmacology, crystallography, and material sciences. Zusammenfassung 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.

Product details

• Authors: Gastone Gilli, Gastone (Full Professor of Physical Chemist Gilli, Gastone (Full Professor of Physical Chemistry Gilli, Gastone Gilli Gilli, Paola Gilli, Paola (Department of Chemistry Gilli, Gilli Gastone, Gilli Paola
• Publisher: Oxford University Press
• Languages: English
• Product format: Hardback
• Released: 08.01.2009
• EAN: 9780199558964
• ISBN: 978-0-19-955896-4
• No. of pages: 330
• Series: International Union of Crystallography Monographs on Crystallography; International Union of Crystal; International Union of Crystal; International Union of Crystallography Monographs on Crystallography
• Subjects: Natural sciences, medicine, IT, technology > Geosciences > Mineralogy, petrography; SCIENCE / Physics / General, SCIENCE / Life Sciences / Biology, SCIENCE / Chemistry / General, SCIENCE / Chemistry / Organic, SCIENCE / Life Sciences / Molecular Biology, SCIENCE / Physics / Crystallography, molecular biology, chemistry, Physics, Crystallography, Chemical biology