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| 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 | : Sławomir J. Grabowski |
| Publisher | : |
| Total Pages | : |
| Release | : 2016 |
| Genre | : Chemistry |
| ISBN | : 9783038422464 |
There is no doubt that the hydrogen bond is one of the most-often analyzed interactions, and there is also no doubt that experimental studies, especially those based on the determination of crystal structures are very important since they deliver valuable information on the nature of this interaction, on different types of the hydrogen bonds, and also on reactions where a hydrogen bond may be treated as the preliminary step. Since the role of the analysis of crystal structures for investigations concerning hydrogen-bonded systems is valuable, the Editorial Board of Crystals, thus, decided to devote a Special Issue of the journal to the analysis of hydrogen bonds in crystals
| 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 | : 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 | : D. Hadži |
| Publisher | : Elsevier |
| Total Pages | : 594 |
| Release | : 2013-09-24 |
| Genre | : Science |
| ISBN | : 1483184374 |
Hydrogen Bonding covers the papers presented at the Symposium on Hydrogen Bonding, held at Ljubljana on July 29 to August 3, 1957. The book focuses on the developments, processes, approaches, methodologies, and reactions involved in hydrogen bonding. The selection first offers information on the structure of water; function of hydrogen bond in solids and liquids; and study of hydrogen bonds by neutron diffraction. The text then takes a look at x-ray and neutron studies of hydrogen bonding; x-ray studies of ammonium bifluoride, potassium hydrogen maleate, theophylline, and caffeine; and isotope effect in relation to bond length in hydrogen bonds in crystals. The publication ponders on proton magnetic resonance measurements of hydrogen bonding; interpretation of nuclear magnetic resonance shifts in hydrogen bonding; nuclear resonance investigation of hydrogen bonding; and infrared spectroscopy and hydrogen bonding — band-widths and frequency shifts. The book then examines the tunneling of protons as a cause of the splitting of hydroxyl stretching bands; infrared spectroscopic study of H-bonding and of metal-element bonding; and effect of hydrogen bond formation on the electronic spectra of phenolic substances. The selection is a vital source of information for readers interested in hydrogen bonding.
| 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 | : 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 | : Eder João Lenardão |
| Publisher | : Springer |
| Total Pages | : 194 |
| Release | : 2018-06-29 |
| Genre | : Science |
| ISBN | : 3319924052 |
This book presents recent advances in and perspectives on the use of organoselenium compounds, primarily highlighting the new frontiers in the field of Green Chemistry, their therapeutic and biological relevance and new materials. Throughout its 200 pages, readers will find an updated and comprehensive review of new aspects of organoselenium chemistry and biochemistry. Fully referenced and written in an easy to read style, it offers readers a primary resource for including organoselenium derivatives in their projects. This book will be of interest to specialists, students and researchers involved in a broad range of fields, from synthetic green chemistry to medicinal chemistry and the chemistry of natural products. The connection between organoselenium compounds and green chemistry, despite having only recently emerged, is one of the subjects of this book. The first chapter highlights the use of Se-containing molecules as reagents and catalysts in new green protocols to access important organic transformations. The book provides a wealth of examples of bioactive Se-containing molecules, especially focusing on those with potential therapeutic uses. The second chapter focuses on the state of the art concerning the role of organoselenium compounds as antioxidants, GPx mimics, and derivatives endowed with different bioactive properties. “Organoselenium in nature” is the title of the third chapter, which equips readers with essential information on the main natural organoselenium compounds and where they are found. Selected aspects of the metabolism of selenium in plants and microorganisms are also discussed. In closing, the book includes a chapter dedicated to recent advances concerning the nonbonding interactions between organochalcogen compounds. This is currently a hot topic in selenium chemistry and biochemistry, and here readers will find key insights into the chalcogen bond and its role in the biological activity of organoselenium compounds.
| Author | : Juan J Novoa |
| Publisher | : Royal Society of Chemistry |
| Total Pages | : 782 |
| Release | : 2017-10-25 |
| Genre | : Science |
| ISBN | : 1788013336 |
The field of crystal engineering concerns the design and synthesis of molecular crystals with desired properties. This requires an in-depth understanding of the intermolecular interactions within crystal structures. This new book brings together the latest information and theories about intermolecular bonding, providing an introductory text for graduates. The book is divided into three parts. The first part covers the nature, physical meaning and methods for identification and analysis of intermolecular bonds. The second part explains the different types of bond known to occur in molecular crystals, with each chapter written by a specialist in that specific bond type. The final part discusses the cooperativity effects of different bond types present in one solid. This comprehensive textbook will provide a valuable resource for all students and researchers in the field of crystallography, materials science and supramolecular chemistry.
| 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.
