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.
Author: Gastone Gilli
Publisher: OUP Oxford
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.
Hydrogen Bonding in Biological Structures is informative and eminently usable.
Author: George A. Jeffrey
Hydrogen bonds are weak attractions, with a binding strength less than one-tenth that of a normal covalent bond. However, hydrogen bonds are of extraordinary importance; without them all wooden structures would collapse, cement would crumble, oceans would vaporize, and all living things would disintegrate into random dispersions of inert matter. Hydrogen Bonding in Biological Structures is informative and eminently usable. It is, in a sense, a Rosetta stone that unlocks a wealth of information from the language of crystallography and makes it accessible to all scientists. (From a book review of Kenneth M. Harmon, Science 1992)
This text defines the rules for predicting H-bond energies and geometries from the properties of the interacting molecules.
Author: Gastone Gilli
This text defines 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.--Résumé de l'éditeur.
Outline of a Comprehensive Hydrogen Bond Theory Gastone Gilli, Paola Gilli ...
general paper on the nature of the chemical bond and by Huggins (1931) to
account for the ionic conduction produced by hydrogen and hydroxyl ions in
Author: Gastone Gilli
Publisher: Oxford University Press
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.
Unlike other existing titles, this book combines theoretical calculations and experiments to explore the nature of excited-state hydrogen bonds.
Author: Han Keli
Publisher: World Scientific
As one of the typical intermolecular interactions, hydrogen-bonding plays a significant role in molecular structure and function. When the hydrogen bond research system is connected with the photon, the hydrogen-bonding effect turns to an excited-state one influencing photochemistry, photobiology, and photophysics. Thus, the hydrogen bond in an excited state is a key topic for understanding the excited-state properties, especially for optoelectronic or luminescent materials.The approaches presented in this book include quantum chemical calculation, molecular dynamics simulation and ultrafast spectroscopy, which are strong tools to investigate the hydrogen bond. Unlike other existing titles, this book combines theoretical calculations and experiments to explore the nature of excited-state hydrogen bonds. By using these methods, more details and faster processes involved in excited-state dynamics of hydrogen bond are explored.This highly interdisciplinary book provides an overview of leading hydrogen bond research. It is essential reading for faculties and students in researching photochemistry, photobiology and photophysics, as well as novel optoelectronic materials, fluorescence probes and photocatalysts. It will also guide research beginners to getting a quick start within this field.
The existence of the weak hydrogen bond has been postulated for some years, but only recently has it become evident that the bond plays a distinctive role in the characteristics of certain molecules. This book provides a critical assessment.
CHAPTER 12 The Hydrogen Bond 12-1 . THE NATURE OF THE HYDROGEN BOND It was recognized some decades ago that under certain conditions an
atom of hydrogen is attracted by rather strong forces to two atoms , instead of only
Papers Presented at the Symposium on Hydrogen Bonding Held at Ljubljana, 29
July-3 August 1957 Dušan Hadži, H. W. ... The nature of the hydrogen bond ( like
the nature of chemical bonds in general ) depends on the nature and structural ...
The Nature of the Hydrogen Bond Even though the concept of the hydrogen bond
is an old one , there is no unanimous agreement on its nature . Early workers in
the field treated the hydrogen bond either as purely electrostatic ( 6,7 ) or purely ...
This book provides readers with the tools to understand the original literature, and to perhaps carry out some calculations of their very own on systems of interest.
Author: Steve Scheiner
Publisher: Oxford University Press
Because of the importance of the hydrogen bond, there have been scores of insights gained about its fundamental nature by quantum chemical computations over the years. Such methods can probe subtle characteristics of the electronic structure and examine regions of the potential energy surface that are simply not accessible by experimental means. The maturation of the techniques, codes, and computer hardware have permitted calculations of unprecedented reliability and rivaling the accuracy of experimental data. This book strives first toward an appreciation of the power of quantum chemistry to analyze the deepest roots of the hydrogen bond phenomenon. It offers a systematic and understandable account of decades of such calculations, focusing on the most important findings. This book provides readers with the tools to understand the original literature, and to perhaps carry out some calculations of their very own on systems of interest.
Overall, the book represents a good balance of experimental and computational research. The book provides an excellent introduction to an important contemporary research topic for graduate students as well as for experienced researchers.
Author: Ke-Li Han
Publisher: John Wiley & Sons
This book gives an extensive description of the state-of-the-art in research on excited-state hydrogen bonding and hydrogen transfer in recent years. Initial chapters present both the experimental and theoretical investigations on the excited-state hydrogen bonding structures and dynamics of many organic and biological chromophores. Following this, several chapters describe the influences of the excited-state hydrogen bonding on various photophysical processes and photochemical reactions, for example: hydrogen bonding effects on fluorescence emission behaviors and photoisomerization; the role of hydrogen bonding in photosynthetic water splitting; photoinduced electron transfer and solvation dynamics in room temperature ionic liquids; and hydrogen bonding barrier crossing dynamics at bio-mimicking surfaces. Finally, the book examines experimental and theoretical studies on the nature and control of excited-state hydrogen transfer in various systems. Hydrogen Bonding and Transfer in the Excited State is an essential overview of this increasingly important field of study, surveying the entire field over 2 volumes, 40 chapters and 1200 pages. It will find a place on the bookshelves of researchers in photochemistry, photobiology, photophysics, physical chemistry and chemical physics.
The nature of the hydrogen bond has been an important question in chemistry for
many years , and there are certain aspects of the hydrogen bond which have not
yet been clarified 17,18 The hydrogen bond is a chemical interaction between ...
The author illustrates why the rather weak hydrogen bond is so essential for our everyday life in a lively and entertaining way.
Author: Aloys Hüttermann
Publisher: Walter de Gruyter GmbH & Co KG
The author illustrates why the rather weak hydrogen bond is so essential for our everyday life in a lively and entertaining way. The chemical and physical fundamentals are explained with examples ranging from the nature of water over the secret of DNA to adhesives and modern detergents. The interdisciplinary science is easy to understand and hence a great introduction for chemists, biologists and physicists.