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International Union of Crystallography Monographs on Crystallography Ser.: Nature of the Hydrogen Bond : Outline of a Comprehensive Hydrogen Bond Theory by Paola Gilli and Gastone Gilli (2013, Trade Paperback)
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Über dieses Produkt
Product Identifiers
PublisherOxford University Press, Incorporated
ISBN-100199673470
ISBN-139780199673476
eBay Product ID (ePID)159823585
Product Key Features
Number of Pages336 Pages
LanguageEnglish
Publication NameNature of the Hydrogen Bond : Outline of a Comprehensive Hydrogen Bond Theory
SubjectChemistry / Physical & Theoretical, Physics / General
Publication Year2013
TypeTextbook
AuthorPaola Gilli, Gastone Gilli
Subject AreaScience
SeriesInternational Union of Crystallography Monographs on Crystallography Ser.
FormatTrade Paperback
Dimensions
Item Height0.7 in
Item Weight21.5 Oz
Item Length9.2 in
Item Width6.2 in
Additional Product Features
Intended AudienceScholarly & Professional
Reviews"This book should be required reading for biochemists as well as for anyone who designs or interprets empirical models that need to reproduce systems where H-bonding is important. A valuable contribution to our understanding of H-bonds. The Gillis should be commended for the considerable timeand effort they must have spent on this endeavor." --Journal of the American Chemical Society
Dewey Edition22
TitleLeadingThe
IllustratedYes
Dewey Decimal546.2
Table Of ContentIntroduction1. A century of hydrogen bond (H-bond)2. Generalities, definitions and preliminary classification3. Modelling the H-bond by crystallographic methods4. Modelling the H-bond by thermodynamic methods5. The empirical laws governing the H-bond: A summary6. Outline of a novel transition-state H-bond theory (TSHBT)7. The strength of the H-bond: Definitions and thermodynamics8. The role of strong H-bonds in nature: A gallery of functional H-bondsReferences
SynopsisHydrogen 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 on the ground of 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., 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 on the ground of 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., 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.
LC Classification NumberQD461
