Theoretical Studies Of Hydrogen Bonding In Small Molecules
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| Author | : Gastone Gilli |
| Publisher | : OUP Oxford |
| Total Pages | : 330 |
| Release | : 2009-06-25 |
| Genre | : Science |
| ISBN | : 0191580279 |
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.
| Author | : Ke-Li Han |
| Publisher | : John Wiley & Sons |
| Total Pages | : 1229 |
| Release | : 2011-03-16 |
| Genre | : Science |
| ISBN | : 1119972922 |
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.
| Author | : Gautam R. Desiraju |
| Publisher | : International Union of Crystal |
| Total Pages | : 530 |
| Release | : 2001 |
| Genre | : Hydrogen bonding |
| ISBN | : 9780198509707 |
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.
| Author | : George A. Jeffrey |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 575 |
| Release | : 2012-12-06 |
| Genre | : Science |
| ISBN | : 3642851355 |
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)
| Author | : Slawomir Grabowski |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 536 |
| Release | : 2006-10-07 |
| Genre | : Science |
| ISBN | : 140204853X |
This book uses examples from experimental studies to illustrate theoretical investigations, allowing greater understanding of hydrogen bonding phenomena. The most important topics in recent studies are covered. This volume is an invaluable resource that will be of particular interest to physical and theoretical chemists, spectroscopists, crystallographers and those involved with chemical physics.
| Author | : John L. Finney |
| Publisher | : Oxford University Press, USA |
| Total Pages | : 161 |
| Release | : 2015 |
| Genre | : Nature |
| ISBN | : 0198708726 |
Around 71% of the Earth's surface is covered in water. In this Very Short Introduction John Finney explores the science of water, its structure and remarkable properties, and its vital role for life on Earth.
| Author | : Biman Bagchi |
| Publisher | : Cambridge University Press |
| Total Pages | : 383 |
| Release | : 2013-11-14 |
| Genre | : Medical |
| ISBN | : 1107037298 |
A unified overview of the dynamical properties of water and its unique and diverse role in biological and chemical processes.
| Author | : Giuliano Preparata |
| Publisher | : World Scientific |
| Total Pages | : 264 |
| Release | : 1995 |
| Genre | : Science |
| ISBN | : 9789810222499 |
Up until now the dominant view of condensed matter physics has been that of an ?electrostatic MECCANO? (erector set, for Americans). This book is the first systematic attempt to consider the full quantum-electrodynamical interaction (QED), thus greatly enriching the possible dynamical mechanisms that operate in the construction of the wonderful variety of condensed matter systems, including life itself.A new paradigm is emerging, replacing the ?electrostatic MECCANO? with an ?electrodynamic NETWORK,? which builds condensed matter through the long range (as opposed to the ?short range? nature of the usual electrostatic forces) electrodynamical interaction; this interaction creates ?coherent configurations? of the elementary systems (atoms and molecules), which oscillate in phase with a coherent macroscopic (and classical) electromagnetic field that, through the strong interaction with matter, remains trapped inside it.
| Author | : Frank Weinhold |
| Publisher | : Cambridge University Press |
| Total Pages | : 768 |
| Release | : 2005-06-17 |
| Genre | : Science |
| ISBN | : 9780521831284 |
The first modernized overview of chemical valency and bonding theory, based on current computational technology.
| Author | : Ruth M. Lynden-Bell |
| Publisher | : CRC Press |
| Total Pages | : 398 |
| Release | : 2010-05-21 |
| Genre | : Medical |
| ISBN | : 1439803579 |
Reflecting a rich technical and interdisciplinary exchange of ideas, Water and Life: The Unique Properties of H20 focuses on the properties of water and its interaction with life. The book develops a variety of approaches that help to illuminate ways in which to address deeper questions with respect to the nature of the universe and our place withi
