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 | : 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 | : 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 | : 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 | : Chick C. Wilson |
| Publisher | : World Scientific |
| Total Pages | : 390 |
| Release | : 2000 |
| Genre | : Science |
| ISBN | : 9789810237769 |
This important book presents a comprehensive account of the techniques & applications of single crystal neutron diffraction in the area of chemical crystallography & molecular structure. Beginning with a brief description of the general principles & the reasons for choosing the technique - the "why" - the book covers the methods for both the production of neutrons & the measurement of their scattering by molecular crystals - the "how" - followed by a detailed survey of past, present & future applications - the "what". The coverage of both steady state & pulsed neutron sources & instrumentation is extensive, while the survey of applications is the most comprehensive yet undertaken. The book endeavours to show why the technique is an essential method for studying areas as diverse as hydrogen bonding & weak interactions, organometallics, supramolecular chemistry & crystal engineering, metal hydrides, charge density & pharmaceuticals. It is an ideal reference source for the research worker interested in using neutron diffraction to study the structure of molecules. Contents: Crystallography & the Importance of Structural Information; Neutron Scattering; Neutron Diffractometers; Review of Applications I: The Accurate Location of Atoms; Review of Applications II: Hydrogen Bonding & Other Intermolecular Interactions; Review of Applications III: Probing Vibrations & Disorder; Impact on Material Properties & Design; The Future: New Instruments, New Sources, New Techniques. Readership: Students & researchers involved in structural science, especially chemical crystallography.
| Author | : Sławomir J. Grabowski |
| Publisher | : MDPI |
| Total Pages | : 323 |
| Release | : 2018-09-27 |
| Genre | : Science |
| ISBN | : 3038422452 |
This book is a printed edition of the Special Issue "Analysis of Hydrogen Bonds in Crystals" that was published in Crystals
| Author | : Chérif F. Matta |
| Publisher | : John Wiley & Sons |
| Total Pages | : 567 |
| Release | : 2007-04-09 |
| Genre | : Science |
| ISBN | : 3527307486 |
This book distills the knowledge gained from research into atoms in molecules over the last 10 years into a unique, handy reference. Throughout, the authors address a wide audience, such that this volume may equally be used as a textbook without compromising its research-oriented character. Clearly structured, the text begins with advances in theory before moving on to theoretical studies of chemical bonding and reactivity. There follow separate sections on solid state and surfaces as well as experimental electron densities, before finishing with applications in biological sciences and drug-design. The result is a must-have for physicochemists, chemists, physicists, spectroscopists and materials scientists.
