X-ray Analysis and the Structure of Organic Molecules


Book Description

This book is the second corrected reprint of â2X-Ray Analysisâ2, published in 1979 and consists of two parts. Part one is about Crystal Structure Analysis, part two deals with Molecular Structure. All the information in this volume is of considerable value especially to those engaged in, or about to embark upon, X-ray crystal structure analysis.







Structure Determination by X-Ray Crystallography


Book Description

Crystallography may be described as the science of the structure of materi als, using this word in its widest sense, and its ramifications are apparent over a broad front of current scientific endeavor. It is not surprising, therefore, to find that most universities offer some aspects of crystallography in their undergraduate courses in the physical sciences. It is the principal aim of this book to present an introduction to structure determination by X-ray crystal lography that is appropriate mainly to both final-year undergraduate studies in crystallography, chemistry, and chemical physics, and introductory post graduate work in this area of crystallography. We believe that the book will be of interest in other disciplines, such as physics, metallurgy, biochemistry, and geology, where crystallography has an important part to play. In the space of one book, it is not possible either to cover all aspects of crystallography or to treat all the subject matter completely rigorously. In particular, certain mathematical results are assumed in order that their applications may be discussed. At the end of each chapter, a short bibliog raphy is given, which may be used to extend the scope of the treatment given here. In addition, reference is made in the text to specific sources of information. We have chosen not to discuss experimental methods extensively, as we consider that this aspect of crystallography is best learned through practical experience, but an attempt has been made to simulate the interpretive side of experimental crystallography in both examples and exercises.




The Crystalline States of Organic Compounds


Book Description

The Crystalline States of Organic Compounds is a broad survey of the techniques by which molecular crystals are investigated, modeled, and applied, starting with the fundamentals of intra- and intermolecular bonding supplemented by a concise tutorial on present-day diffraction methods, then proceeding to an examination of crystallographic databases with their statistics and of such fundamental and fast-growing topics as intermolecular potentials, polymorphism, co-crystallization, and crystal structure prediction by computer. A substantial part of the book is devoted to the techniques of choice in modern simulation, Monte Carlo and molecular dynamics, with their most recent developments and application to formed crystals and to the concomitant phases involved in nucleation and growth. Drawing on the decades-long experience of its author in teaching and research in the field of organic solid state, The Crystalline States of Organic Compounds is an indispensable source of key insights and future directions for students and researchers at any level, in academia and in industry. - Condenses theoretical information and practical methods in a single resource - Provides a guide on the use of crystallographic databases, structure statistics, and molecular simulations - Includes a large number of worked examples and tutorials, with extensive graphics and multimedia




Determination of Organic Structures by Physical Methods V3


Book Description

Determination of Organic Structures by Physical Methods, Volume 3 is a seven-chapter text that describes the refinements of some established physical methods for organic structure determination. Each chapter of this book examines specific physical method, including photoelectron spectroscopy, X-ray diffraction, optical rotary dispersion, circular dichroism, mass spectrometry, and electron spin resonance and NMR spectroscopies. The historical developments, instrumentation, and applications to organic chemistry of these methods are discussed. This work will be of value to organic and analytical chemists and researchers.







Determination of Organic Structures by Physical Methods


Book Description

Determination of Organic Structures by Physical Methods, Volume 1 focuses on the processes, methodologies, principles, and approaches involved in the determination of organic structures by physical methods, including infrared light absorption, thermodynamic properties, Raman spectra, and kinetics. The selection first elaborates on the phase properties of small molecules, equilibrium and dynamic properties of large molecules, and optical rotation. Discussions focus on simple acyclic compounds, carbohydrates, steroids, diffusion, viscosity, osmotic pressure, sedimentation velocity, melting and boiling points, and molar volume. The book then examines ultraviolet and visible light absorption, infrared light absorption, Raman spectra, and the theory of magnetic susceptibility. Concerns cover applications to the study of organic compounds, applications to the determination of structure, determination of thermodynamic properties, and experimental methods and evaluation of data. The text ponders on wave-mechanical theory, reaction kinetics, and dissociation constants, including dissociation of molecular addition compounds, principles of reaction kinetics, and valence-bond treatment of aromatic systems. The selection is a valuable source of data for researchers interested in the determination of organic structures by physical methods.




X-Ray and Neutron Diffraction


Book Description

X-Ray and Neutron Diffraction describes the developments of the X-ray and the various research done in neutron diffraction. Part I of the book concerns the principles and applications of the X-ray and neutrons through their origins from classical crystallography. The book explains the use of diffraction methods to show the highly regular arrangement of atoms that forms a continuous pattern in three-dimensional space. The text evaluates the limitations and benefits of using the different types of radiation sources, whether these are X-rays, neutrons, or electrons. Part II is a collection of reprints discussing the development of techniques that includes a modification of the Bragg method, which is a method of X-ray crystal analysis. One paper presents an improved numerical method of two-dimensional Fourier synthesis for crystals. This method uses a greatly reduced process of arrangement of sets of figures found in the two-dimensional Fourier series. The book also notes the theoretical considerations and the practical details, and then addresses precautions against possible inclusions of errors in this method. The text deals as well with the magnetic scattering of neutrons, and one paper presents a simple method of gathering information about the magnetic moment of the neutron besides the traditional Stern-Gerlach method. Nuclear scientists and physicists, atomic researchers, and nuclear engineers will greatly appreciate the book.




Structure Determination from Powder Diffraction Data


Book Description

Our understanding of the properties of materials, from drugs and proteins to catalysts and ceramics, is almost always based on structural information. This book describes the new developments in the realm of powder diffraction which make it possible for scientists to obtain such information even from polycrystalline materials. Written and edited by experts active in the field, and covering both the fundamental and applied aspects of structure solution from powder diffraction data, this book guides both novices and experienced practitioners alike through the maze of possibilities.




Determination of Organic Structures by Physical Methods V5


Book Description

Determination of Organic Structures by Physical Methods, Volume 5 is a seven-chapter text that discusses the improvements of some established physical methods for organic structure determination. Each chapter of this book examines specific physical method, including electron diffraction, spin saturation labeling, chemically and electro-magnetically induced dynamic nuclear polarization, ion cyclotron resonance spectroscopy, nuclear quadrupole resonance, Mössbauer spectroscopy, and automated analysis systems. The historical developments, principles, instrumentation, and applications to organic chemistry of these methods are discussed. This work will be of value to organic and analytical chemists and researchers.




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