Download E-books The Nature of the Hydrogen Bond: Outline of a Comprehensive Hydrogen Bond Theory (Iucr Monographs on Crystallography) PDF

By Gastone Gilli

Hydrogen bond (H-bond) results are recognized: it makes sea water liquid, joins cellulose microfibrils in bushes, shapes DNA into genes and polypeptide chains into wool, hair, muscle groups or enzymes. Its actual nature is much less identified and we should still ask yourself why O-H...O bond energies variety from under 1 to greater than 30 kcal/mol with no obvious cause. This H-bond puzzle is re-examined the following from its very starting at the flooring of an inclusive compilation of experimental H-bond energies and geometries.

New recommendations emerge from this research: new sessions of systematically robust H-bonds (CAHBs and RAHBs: cost- and resonance-assisted H-bonds); complete H-bond type in six periods (the six chemical leitmotifs); and evaluation of the covalent nature of sturdy H-bonds. This results in 3 distinctive yet inter-consistent types in a position to rationalize the H-bond and are expecting its energy, in accordance with classical VB idea, matching of donor-acceptor acid-base parameters (PA or pKa), or form of the H-bond proton-transfer pathway.

Applications survey a couple of structures the place robust H-bonds play a major useful function, specifically drug-receptor binding, enzymatic catalysis, ion-transport via mobilephone membranes, crystal layout and molecular mechanisms of sensible materials.

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