Methods in Stereochemical Analysis - Böcker

The fields of structural chemistry and biochemistry have blossomed in the last seventy years since X-ray diffraction was discovered in 1912. Dorothy Hodgkin, who obtained a Nobel Prize in 1965 for her X-ray diffraction work wrote 'a great advantage of X-ray analysis as a method of chemical structure analysis is its power to show some totally unexpected and surprising structure with, at the same time, complete certainty.' The results of all X-ray diffraction studies are used by chemists and buiochemists but these scientists need to be able to appreciate the significance and extent to which these results may be used. A number of books written for practicing crystallographers cover the theory and applications of X-ray diffraction, but few are of real practical use to non-specialists. In 'Crystal Structure Analysis for Biologists and Chemists', the general principles of crystal structure are presented in a highly readable way. The book of Glusker, who is internationally renowned, provides good coverage of theory, including data and understanding their significance.

This is a methods-oriented book, which contains enormous amounts of information on 31P NMR, in a concise and well-edited format. It is an invaluable resource for every NMR spectroscopist.This book consists of 33 chapters, which together 'constitute a compendium that will be of optimal utility to the majority of 31P NMR spectroscopy users as well as to those perhaps not as familiar with the technique but curious about potential applications in their own research.' (From the editors' preface)There have been a number of new developments in NMR techniques in the 6 years since Verkade and Quin edited the first, successful book on 31P NMR. This new book does not supersede the previous book; it offers a wide cross-section of recent research. Compard to the first, basic, grounding volume, this book presents more results (it is more applied); it directly reflects a more mature science.Arguably, VCH has published the best NMR books in recent years (Neuhaus/Williamson, Croasmun/Carlson, etc.). This new addition to VCH's NMR list ensures the continued visibility and excellence of VCH in this field.

This volume covers the new methodological advances in NMR spectroscopy that have been developed since the publication of the first edition. These include: 'indirect detection' methods, particularly proton-detected carbon-13 spectra, which have profoundly increased NMR sensitivities; 3- and even higher- dimensional NMR methods which have further increased spectral resolving and correlating power; powerful new computer programs which assist in all phases of data analysis and ultimately make possible rigorous interpretations of complex 2D and higher- dimensional NMR spectra using molecular mechanics and dynamics calculations; and field gradient technology which makes it possible to acquire 2D and higher-dimensional spectra of concentrated samples very rapidly, greatly reducing experiment times. This new edition retains the original format of the first edition with introductory chapters covering descriptions, basic theoretical treatments and experimental aspects of the methods. These are followed by applications chapters representing a broad sampling of important research areas and compound classes

Most books on organic conformational deal with sterochemistry, while neglecting the spatial structure of organic molecules, especially the unusual ones. This ambitious monograph presents a global view of organic structure and conformational analysis in a very readable style. The author's fascination with the beauty and variety of shapes of organic molecules comes through in her description of the importance of molecular organization in organic chemical and biological systems, the quantum foundations of molecular spatial structure, molecular symmetry, chiralty and physical methods for studying molecular geometry. She provides ample bases for the new trends in organic conformational chemistry, including the application of Computer Assisted Molecular Design (CAMD) to organic synthesis.

Packed with reviews plus new results from the author's laboratories, the first-of-its-kind work offers a timely and authoritative treatise on the use of mass spectral techniques in organic stereochemistry. Featuring 22 chapters contributed by eminent and active researchers in the field, this unique sourcebook offers comparative information on the use of a variety of mass-spectral techniques to characterize stereoisomers and conformers of both large and small biologically important organic molecules. It also discusses techniques for studying gas-phase conformational equilibria in conformationally mobil systems. Applications of Mass Spectrometry to Organic Stereochemistry will dramatically aid the lab applications of organic, biological, pharmaceutical, and analytical chemists in university and industrial laboratories.

This collection of twenty-six articles by leading experts is the first truly comprehensive account of the gas-phase electron diffraction technique. It is written for the non-specialist users of structural information. Part A discusses the development and present capabilities of gas electron diffraction. Several contributions deal with the combined application of various techniques. Part B contains the structural information and also presents trends and interpretations of structural variations.

This guide to two-dimensional NMR spectroscopy helps the novice who want e the technique, but needs a path through the bewildering array of metho acronyms and the mathematical rigor found in most books.The authors provide a clear explanation of experiment performance, param lection, data processing and presentation as well as a description of wh rmation is provided by each experiment and how it is extracted and inter They group presentations of two-dimensional NMR experiments according t zation, e.g. COSY, LRCOSY, ZQCOSY, DQCOSY ... for establishing proton-pr nnectivities.The book also presents spectra of the same model compound using various ues to enable the reader to make direct comparisons and facilitate his e nt selection. Examples of the concerted utilization of various two-dimen NMR experiments to solve complex structural problems are also given.

Here is an in-depth presentation of current research and theory on the chemistry of three-dimensional polycyclic molecules, or 'cage molecules,' synthesized compounds with closed structures. Internationally known scientists introduce their areas of expertise, ranging from general principles to highly specialized perspectives on this fascinating branch of pure chemistry.

The various techniques used to analyze the microstructures of polymers are presented in this book. High resolution and solid state techniques are described, and applications to both synthetic and biological polymers are discussed in detail. Particular emphasis is placed on the determination of polymer microstructure by NMR spectroscopy. Here attention is drawn to the connection between the microstructures and NMR spectra of polymers, and it is demonstrated that the local polymer conformation provides this link. The numerous examples illustrating this connection are a special feature of the book.

An authoritative review of the state of the art in the Nuclear Overhauser Effect-essential information for organic chemists, biochemists, biophysicists, and NMR spectroscopistsThe field of NMR spectroscopy has seen tremendous growth in the last twenty years, particularly advances relating to Nuclear Overhauser Effect (NOE) spectroscopy-the most powerful technique for obtaining structural information on molecules in solution. Extensive and engaging, the Second Edition of the leading reference on the NOE is significantly updated to reflect the latest changes and new approaches in the field.Neuhaus and Williamson provide an essential guide to the complexities and use of the NOE in a readily accessible, straightforward manner. Their practical handbook features a new chapter addressing the use of NOE data to calculate biomolecular structures. Chapters dealing with the kinetics of the NOE, the effects of exchange and internal motion, and applications of the NOE, are also extensively revised. Cross-referenced in remarkable depth, The Nuclear Overhauser Effect is organized into three main parts:* Part I describes the theory of the Nuclear Overhauser Effect in a clear, comprehensive fashion* Part II discusses the considerations involved in implementing NOE experiments, including full coverage of all necessary details for both new and established techniques* Part III offers examples of how the NOE is used, including applications to defining molecular geometry, stereochemistry, conformation, and biomolecular structure and interactionsThe Nuclear Overhauser Effect in Structural and Conformational Analysis, Second Edition, uniquely explains the NOE in detail, making it an indispensable resource for the novice as well as the experienced NMR researcher.

A systematic exploration of the fascinating area of CH/p interaction-from the frontier of chemical research The CH/p bond may be the weakest of the hydrogen bonds, but it has been found to play important roles in the physical, chemical, and biological properties of a variety of substances. This book offers a complete overview of the experimental basis, theoretical background, and nature of the CH/p interaction to facilitate a clearer common understanding of the interaction between CH bonds and p-systems. Featured topics include:* Evidence and methods of detection* Quantum chemical treatment of CH/p interaction* Comparison with other types of weak molecular interactions* Conformational consequences* Chiroptical properties* Selectivity in organic reactions* Crystal structures of clathrates* Inclusion compounds* Interligand interactions in coordination chemistry* Specific interactions in protein structures* Prospects and possibilities for use in biochemistry and materials science The CH/p Interaction makes an important contribution to the understanding of weak intermolecular forces and their potential value to the biochemical and pharmaceutical sciences. It will be welcomed by physical and synthetic organic chemists; structural chemists; and pharmaceutical and biochemists.

A unique look at some of the hottest topics in photophysics and photochemistry today The study of molecules in excited states has exploded over the past decade, providing new insights into conformational changes in organic molecules and opening up research opportunities for scientists and professionals in chemistry, physics, biology, medicine, and materials engineering. Using conformational analysis as a unifying concept, this important new work provides readers with a cohesive and cutting-edge overview of this fascinating and challenging field. From conformational changes accompanying photoinduced electron transfer to elementary photophysical and photochemical processes in living systems, the most representative and challenging topics are carefully gleaned from the vast literature, highlighting major conceptual problems along with the relevant experimental techniques. Authoritative, detailed contributions from both experimentalists and theoreticians include coverage of:* Conformational changes in intramolecular excited state electron transfer* Conformational aspects of excited state proton transfer* The novel topic of solute-solvent friction in chemical reactions* Mechanisms and structural aspects of exciplex formations* Conformational aspects of organic photochemistry* Calculations of excited state conformational properties