Single Crystal Neutron Diffraction from Molecular Materials


Book Description

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.




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.




Elements of Slow-Neutron Scattering


Book Description

This book provides a comprehensive and up-to-date introduction to the fundamental theory and applications of slow-neutron scattering.




Magnetic Neutron Diffraction


Book Description

The inter action between the magnetic field generated by the neutron and the magnetic moment of atoms containing unpaired electrons was experimentally demonstrated for the first time about twenty years ago. The basic theory describing such an in teraction had already been developed and the first nuclear reactors with large available thermal neutron fluxes had recently been con structed. The power of the magnetic neutron interaction for in vestigating the structure of magnetic materials was immediately recognized and put to use where possible. Neutron diffraction, however, was practicable only in countries with nuclear reactors. The earliest neutron determinations of magnetic ordering were hence primarily carried out at Oak Ridge and Brookhaven in the US, at Chalk River in Canada and at Harwell in England. Diffraction patterns from polycrystalline ferromagnets and antiferromagnets are interpretable if produced by simple spin arrays. More complex magnetic scattering patterns could often be unravelled, in terms of a three-dimensional array of atomic moments, if the specimen studied is a single crystal. The devel opment of sophisticated cryogenic equipment, with independently alignable magnetic fields, opened the way to greater complexity in the magnetic structures that could be successfully determined, as did also the introduction of polarized neutron beams. By the end of the 'sixties, many countries were contributing significantly to neutron diffraction studies of a wide variety of magnetic materials.




Neutron Protein Crystallography


Book Description

One of the first books dedicated to the emerging field of neutron protein crystallography (NPC). It covers all of the practical aspects of NPC and demonstrates how NPC can explore protein features such as hydrogen bonds, protonation and deprotonation of amino acid residues, and hydration structures.




Encyclopedia of Supramolecular Chemistry - Two-Volume Set (Print)


Book Description

The two-volume Encyclopedia of Supramolecular Chemistry offers authoritative, centralized information on a rapidly expanding interdisciplinary field. User-friendly and high-quality articles parse the latest supramolecular advancements and methods in the areas of chemistry, biochemistry, biology, environmental and materials science and engineering, physics, computer science, and applied mathematics. Designed for specialists and students alike, the set covers the fundamentals of supramolecular chemistry and sets the standard for relevant future research.




Encyclopedia of Supramolecular Chemistry


Book Description

Covers the fundamentals of supramolecular chemistry; supramolecular advancements and methods in the areas of chemistry, biochemistry, biology, environmental and materials science and engineering, physics, computer science, and applied mathematics.




Diffuse Neutron Scattering from Crystalline Materials


Book Description

This is the first comprehensive account of diffuse neutron scattering, a unique tool for determining structural disorder in solids. The text takes the reader through theoretical, computational and experimental developments in the subject and describes in detail its application to a number of structural disorder problems. These include the more traditional subjects of substitutional disorder in alloys and orientational disorder in molecular systems as well as the more recent studies of superior and framework materials. Particular emphasis is placed on recent refinement methods for data interpretation and these are compared with established computer simulation techniques and analytical approaches. The book collects disparate themes into one unique volume, which is written as an introduction to the methods for graduate scientist and as a valuable reference or the expert crystallographer who wishes to apply modern interpretative techniques to diffuse scattering data.




Structure Analysis by Small-Angle X-Ray and Neutron Scattering


Book Description

Small-angle scattering of X rays and neutrons is a widely used diffraction method for studying the structure of matter. This method of elastic scattering is used in various branches of science and technology, includ ing condensed matter physics, molecular biology and biophysics, polymer science, and metallurgy. Many small-angle scattering studies are of value for pure science and practical applications. It is well known that the most general and informative method for investigating the spatial structure of matter is based on wave-diffraction phenomena. In diffraction experiments a primary beam of radiation influences a studied object, and the scattering pattern is analyzed. In principle, this analysis allows one to obtain information on the structure of a substance with a spatial resolution determined by the wavelength of the radiation. Diffraction methods are used for studying matter on all scales, from elementary particles to macro-objects. The use of X rays, neutrons, and electron beams, with wavelengths of about 1 A, permits the study of the condensed state of matter, solids and liquids, down to atomic resolution. Determination of the atomic structure of crystals, i.e., the arrangement of atoms in a unit cell, is an important example of this line of investigation.




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.