Hydrogen Bond Networks
Hydrogen Bond Networks

Author: Marie-Claire Bellisent-Funel

Publisher: Springer

Published: 2014-03-14

Total Pages: 558

ISBN-13: 9789401583336

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The almost universal presence of water in our everyday lives and the very `common' nature of its presence and properties possibly deflects attention from the fact that it has a number of very unusual characteristics which, furthermore, are found to be extremely sensitive to physical parameters, chemical environment and other influences. Hydrogen-bonding effects, too, are not restricted to water, so it is necessary to investigate other systems as well, in order to understand the characteristics in a wider context. Hydrogen Bond Networks reflects the diversity and relevance of water in subjects ranging from the fundamentals of condensed matter physics, through aspects of chemical reactivity to structure and function in biological systems.

Hydrogen Bonding and Transfer in the Excited State
Hydrogen Bonding and Transfer in the Excited State

Author: Ke-Li Han

Publisher: John Wiley & Sons

Published: 2011-03-16

Total Pages: 1229

ISBN-13: 1119972922

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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.

Hydrogen-bonded Capsules: Molecular Behavior In Small Spaces
Hydrogen-bonded Capsules: Molecular Behavior In Small Spaces

Author: Julius Rebek, Jr

Publisher: World Scientific

Published: 2015-09-23

Total Pages: 228

ISBN-13: 9814678376

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This monograph describes the behavior of molecules confined to small spaces. The small spaces are created by the self-assembly of modules into hollow capsular structures through hydrogen bonding; capsules assembled by metal/ligand binding or other forces are not included. Topics discussed include how assembly of capsules occurs, how molecules get in and out of the capsules, new spatial arrangements (stereochemistry) created in the capsules, and the altered shapes, interactions and reactivities of molecules held inside the small spaces. The descriptions emphasize molecular recognition phenomena and the perspective is that of physical organic chemistry.The book is the first monograph to treat reversible molecular encapsulation. More than 20 university and institute groups worldwide engage in this research, which represents the leading edge of activity in molecular recognition and the physical organic chemistry of confined molecules.

Structure and Reactivity in Aqueous Solution
Structure and Reactivity in Aqueous Solution

Author: Christopher J. Cramer

Publisher:

Published: 1994

Total Pages: 456

ISBN-13:

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Provides critical experimental studies and state-of-the-art theoretical analyses of organic reactions in which the role of the aqueous environment is particularly clear. Examines equilibrium and nonequilibrium solvent effects for a variety of chemical processes. Provides an overview of the scope and utility of the present broad array of modeling techniques for mimicking aqueous solution. Includes detailed studies of the hydrophobic effect as it influences protein folding and organic reactivity. Examines the effect of aqueous solvation on biological macromolecules and interfaces.

The Nature of the Hydrogen Bond
The Nature of the Hydrogen Bond

Author: Gastone Gilli

Publisher: OUP Oxford

Published: 2009-06-25

Total Pages: 330

ISBN-13: 0191580279

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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-Bonded Liquids
Hydrogen-Bonded Liquids

Author: J.C. Dore

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 439

ISBN-13: 9401132747

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The study of liquids covers a wide range of scientific disciplines, primarily in physics and chemistry. As a result of this disparate activity the links between new developments in remote fields are seldom co-ordinated into a single conference. The objective of the present meeting was to gather together people with different forms of expertise. Previous ASI meetings on the liquid state have been held over an extended period and have occurred on a three-yearly basis. The first meeting in this series was on 'Structure and Dynamics of Liquids' in 1980 and was held on the island of Corsica. The next meeting on 'Molecular liquids: Dynamics and Interactions' was held in Florence in 1983 and was followed by 'Aqueous Solutions' at the Institut d'Etudes Scientifiques de Cargese in 1986. It therefore seemed a natural choice to select Cargese for the next meeting in 1989 and to choose a topic which emphasised a particular area of liquid state studies. Due to our own involvement in collaborative research we considered that 'Hydrogen-bonded liquids' would be an appropriate topic. One of its attractions, was that there was much new material coming from widely disparate investigations and it would be a convenient time to draw together the different strands. The particular interest in water was clearly central to this topic but it was thought desirable to set this development in the wider context of other systems in which hydrogen-bonding plays a significant role.

The Weak Hydrogen Bond
The Weak Hydrogen Bond

Author: Gautam R. Desiraju

Publisher: International Union of Crystal

Published: 2001

Total Pages: 530

ISBN-13: 9780198509707

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The weak or non-conventional hydrogen bond has been subject of intense scrutiny over recent years in several fields, in particular in structural chemistry, structural biology, and also in the pharmaceutical sciences. There is today a large body of experimental and theoretical evidenceconfirming that hydrogen bonds like C-H...O, N-H...pi, C-H...pi and even bonds like O-H...metal play distinctive roles in molecular recognition, guiding molecular association, and in determining molecular and supramolecular architectures. The relevant compound classes include organometalliccomplexes, organic and bio-organic systems, and also DNA and proteins. The book provides a comprehensive assessment of this interaction type, and is of interest to all those interested in structural and supramolecular science, including fields as crystal engineering and drug design.

Theoretical Treatments of Hydrogen Bonding
Theoretical Treatments of Hydrogen Bonding

Author: Dušan Hadži

Publisher: John Wiley & Sons

Published: 1997-12-29

Total Pages: 344

ISBN-13:

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Hydrogen bonding is crucial in many chemical and biochemical reactions, as well as in determining material properties. A good insight into the theoretical methods of treating hydrogen bonding is essential for those wishing to model its effects computationally in a wide range of fields involving hydrogen bonding, as well as those wishing to extract the maximal amount of information from experimental data. Theoretical Treatments of Hydrogen Bonding presents the reader with the state of the art of the key theoretical approaches to hydrogen bonding and considers the hydrogen bond from the various aspects. The first five chapters are devoted to the methods used for treating the electronic basis of hydrogen bonding, including a consideration of the electrostatic model, density functional theory and molecular orbital methods. Later chapters consider the dynamics of hydrogen bonds with particular attention to the treatment of proton transfer; manifestations of dynamics as reflected in infrared spectra and nuclear magnetic relaxation are also considered. Hydrogen bonding in liquids and solids such as ferroelectrics are included. The book concludes with an epilogue which discusses the likely development of hydrogen bond computations in very large chemical systems. Theoretical Treatments of Hydrogen Bonding offers the reader a comprehensive view of the current theoretical approaches to hydrogen bonding. It is a valuable presentation of theoretical tools useful to those looking for the most appropriate approach for treating a particular problem involving hydrogen bonding.

The Structure and Properties of Water
The Structure and Properties of Water

Author: D Eisenberg

Publisher: Oxford University Press, USA

Published: 2005-10-20

Total Pages: 315

ISBN-13: 0198570260

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The authors have correlated many experimental observations and theoretical discussions from the scientific literature on water. Topics covered include the water molecule and forces between water molecules; the thermodynamic properties of steam; the structures of the ices; the thermodynamic, electrical, spectroscopic, and transport properties of the ices and of liquid water; hydrogen bonding in ice and water; and models for liquid water. The main emphasis of the book is on relatingthe properties of ice and water to their structures. Some background material in physical chemistry has been included in order to ensure that the material is accessible to readers in fields such as biology, biochemistry, and geology, as well as to chemists and physicists.

Water in Biological and Chemical Processes
Water in Biological and Chemical Processes

Author: Biman Bagchi

Publisher: Cambridge University Press

Published: 2013-11-14

Total Pages: 383

ISBN-13: 1107037298

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A unified overview of the dynamical properties of water and its unique and diverse role in biological and chemical processes.