Book Description

This book describes the chemical and physical structure of molecular crystals, their optical and electronic properties, and the reactions between neighboring molecules in crystals.In the second edition, the author has taken into account research that has undergone extremely rapid development since the first edition was published in 1987. For instance, he gives extensive coverage to the applications of molecular materials in high-technology devices (e.g. optical communications, laser printers, photocopiers, liquid crystal displays, solar cells, and more). There is also an entirely new chapter on the recently discovered Buckminsterfullerene carbon molecule (C60) and organic non-linear optic materials. ... Read more

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Molecules in the solid-state
Chemists play with molecules. They synthesize them ex-novo or they extract them from natural sources. The next step concerns their characterization in the gas-phase, solution, and solid-state. The latter is the playground of chemical crystallographers who are employing single-crystal x-ray diffraction methods to determine the 3D structure of molecules. Applications with molecular crystals, however, are not restricted to chemists but do include also the work of physicists, engineers, and materials scientists. Let us think, for example, about non-linear optical materials and organic electronics. Molecular crystals research is quite interdisciplinary a field and exploits all the available theoretical and experimental means so far developed by research scientists. The book of Wright presents an excellent and concise overview of the field. It comprises 10 chapters covering subjects such as crystal growth, intermolecular forces, packing, impurities, dynamics, optical, electrical, and chemical properties. Figures (in B ... Read more

Book Description

The electron density of a nondegenerate ground state system determines essentially all physical properties of the system. This statement of the Hohenberg--Kohn theorem of Density Functional Theory plays an exceptionally important role among all the fundamental relations of molecular physics. Electron densities provide detailed information that gives important insight into the fundamentals of molecular structure and a better understanding of chemical reactions. If the functional form of a molecular electron density is known, then various molecular properties affecting reactivity can be determined by quantum chemical computational techniques or alternative approximate methods.This book contains a selection of chapters based on papers given at the 12th conference of the Commission of Charge, Spin and Momentum Density of the International Union for Crystallography, held in Waskiesiu, Prince Albert National Park, Canada, on July 27 -- August 1, 1997. The choice of topics represents some of the latest advances in the field of electron, spin, and momentum densities and the analysis of these densities with respect to their roles in determining chemical reactivity. This book provides an exciting collection of accounts of the latest advances, and also provides further motivation for new research to address some of the challenging, unsolved problems of the fascinating interrelations between electron, spin, and momentum densities, and the complex subject of chemical reactivity. ... Read more

Book Description

Material processing techniques that employ severe plastic deformation have evolved over the past decade, producing metals, alloys and composites having extraordinary properties. Variants of SPD methods are now capable of creating monolithic materials with submicron and nanocrystalline grain sizes. The resulting novel properties of these materials has led to a growing scientific and commercial interest in them. They offer the promise of bulk nanocrystalline materials for structural; applications, including nanocomposites of lightweight alloys with unprecedented strength. These materials may also enable the use of alternative metal shaping processes, such as high strain rate superplastic forming. Prospective applications for medical, automotive, aerospace and other industries are already under development. ... Read more

Book Description

Computer simulations provide an essential set of tools forunderstanding the macroscopic properties of liquid crystals and oftheir phase transitions in terms of molecular models. Whilesimulations of liquid crystals are based on the same general MonteCarlo and molecular dynamics techniques as are used for other fluids,they present a number of specific problems and peculiarities connectedto the intrinsic properties of these mesophases. The field of computer simulations of anisotropic fluids isinterdisciplinary and is evolving very rapidly. The present volumecovers a variety of techniques and model systems, from lattices tohard particle and Gay-Berne to atomistic, for thermotropics,lyotropics, and some biologically interesting liquid crystals.Contributions are written by an excellent panel of internationallecturers and provides a timely account of the techniques and problemsin the field. ... Read more

Book Description

The purpose of Volume C is to provide the mathematical,physical, and chemical information needed for experimental studies instructural crystallography. This new edition features two completelynew chapters, on reflectometry and neutron topography. More than halfof the text has been revised and updated, and there are extensiveupdates and corrections to tabular material. Volume C covers all aspects of experimental techniques, using allthree principal radiation types, from the selection and mounting ofcrystals and production of radiation through data collection andanalysis to interpretation of results. Audience: The volume is an essential source of information forall workers using crystallographic techniques in physics, chemistry,metallurgy, earth sciences, and molecular biology. ... Read more

Book Description

This book contains the contributions of 13 well knownspecialists in the field of solid state chemistry who had invited aslectures at a 1992 NATO Advanced Study Institute in Erice, Sicily. Thechapters of a more general character concern the use of the spacegroup-subgroup relatioship for the recognition of structure families,the crystal chemical formulae (which is a way of denoting simplecrystal chemical information in a condensed form), the concepts ofatom coordination, atom volume and charge transfer and the physicist'sview of the bond strength in the solid which is measured by thecrystal orbital overleap population. It is demonstrated for the caseof ionic compounds that the bond valence method is superior to the oldsum-of-radii method for the prediction of interatomic distances.Simple valence electron rules can be applied to compounds withtetrahedral anion complexes. These rules allow one not only to makepredictions on expected structural features of unknown compounds, butalso to point out inconsistencies between the reported structure andcomposition of known comounds. Detailed accounts are presented on thecrystal chemistry of the superconducting copper oxids, the sulfosalts,the metal cluster compounds, the silicates and the transition metalborides and related compounds. In the case of intermetallic compoundsthe intergrowth concept is found to be very useful for an`understanding' of complicated atom arrangements. At the end of each chapter there can be found problems and theirsolutions. This makes it possible for (advanced) undergraduates inchemistry, physics, metallurgy, materials science and mineralogy to beable to profit from a study of this book. ... Read more

Book Description

Recent years have seen a dramatic increase in the use ofcrystal structure information and computational techniques in thedesign and development of a very wide range of novel materials. Theseactivities now encompass a broad chemical spectrum, reflected in thecontributions published here, which cover: modern crystallographictechniques, databases and knowledge bases of experimental results,computational techniques and their interplay with experimentalinformation, hydrogen bonding and other intermolecular interactions,supramolecular assembly and crystal structure prediction, andpractical examples of materials design. Each author is a recognisedexpert and the volume contains state-of-the-art results set in thecontext of essential background material and augmented by extensivebibliographies. The volume provides a coherent introduction to arapidly developing field and will be of value to both specialists andnon-specialists at the doctoral and post-doctoral levels. ... Read more

Book Description

The accurate determination of the structure of molecular systems provides information about the consequences of weak interactions both within and between molecules. These consequences impact the properties of the materials and the behaviour in interactions with other substances. The book presents modern experimental and computational techniques for the determination of molecular structure. It also highlights applications ranging from the simplest molecules to DNA and industrially significant materials. Readership: Graduate students and researchers in structural chemistry, computational chemistry, molecular spectroscopy, crystallography, supramolecular chemistry, solid state chemistry and physics, and materials science. ... Read more

Book Description

Crystal engineering is an interdisciplinary area that cuts across the traditional subdivisions of chemistry. Fuelled by our increasingly precise understanding of the chemistry and properties of supramolecular systems, interest in the potential of the field has increased rapidly.The topics discussed in the 28 contributions in this book provide a state-of-the-art description of the field and offer new research ideas that, if pursued, will serve to strengthen the field at the interface between supramolecular chemistry and materials science. ... Read more

Book Description

Molecular Magnetism: From Molecular Assemblies to theDevices reviews the state of the art in the area. It is organizedin two parts, the first of which introduces the basic concepts,theories and physical techniques required for the investigation of themagnetic molecular materials, comparing them with those used in thestudy of classical magnetic materials. Here the reader will find: (i)a detailed discussion of the electronic processes involved in themagnetic interaction mechanisms of molecular systems, includingelectron delocalization and spin polarization effects; (ii) apresentation of the available theoretical models based on spin andHubbard Hamiltonians; and (iii) a description of the specific physicalinvestigative techniques used to characterize the materials. The second part presents the different classes of existing magneticmolecular materials, focusing on the possible synthetic strategiesdeveloped to date to assemble the molecular building blocks rangingfrom purely organic to inorganic materials, as well as on theirphysical properties and potential applications. These materialscomprise inorganic and organic ferro- and ferrimagnets, highnuclearity organic molecules and magnetic and metallic clusters, spincrossover systems, charge transfer salts (including fulleride saltsand organic conductors and superconductors), and organized soft media(magnetic liquid crystals and Langmuir-Blodgett films). ... Read more

Book Description

This book covers the latest developments in the fields ofmixing and crystallization. It shows how mixing processes affect thecrystallization process in general, and provides solutions to somespecific cases in particular. Different mixing strategies and deviceshave been discussed with a particular reference to the crystallizationprocess. The book also covers the state-of-the-art measurementtechniques available for mixing intensity, nucleation, crystal growthand size distribution. The articles have been contributed by the mostrespected researchers in this area, and cover the frontier areas ofresearch and development in the mixing and crystallization processes.This is unique compared to other books in this field which do notemphasize the interrelationship of the two processes. This book is aselection of papers presented at the International Conference on`Mixing and Crystallization' held at Tioman Island, Malaysia, in 1998.Audience: Professional engineers, researchers and graduatestudents involved in chemical, food, pharmaceutical and biochemicalengineering. ... Read more

Book Description

The 10th edition of the World Directory of Crystallographersand of Other Scientists Employing Crystallographic Methods isa revised and up-to-date edition of the World Directory and containsthe current addresses, academic status and research interests of over8000 scientists in 74 countries. It is produced directly from theregularly updated electronic World Directory database, which isaccessible via the World-Wide Web. Full details of the database aregiven in an Annex to the printed edition. ... Read more

Book Description

This volume provides an overview of current research and recent advances in the area of energetic materials, focusing on explosives and propellants.The contents and format reflect the fact that theory, experiment and computation are closely linked in this field.

The challenge of developing energetic materials that are less sensitive to accidental stimuli continues to be of critical importance.This volume opens with discussions of some determinants of sensitivity and its correlations with various molecular and crystal properties.The next several chapters deal in considerable detail with different aspects and mechanisms of the initiation of detonation, and its quantitative description.The second half of this volume focuses upon combustion.Extensive studies model ignition and combustion, with applications to different propellants.The final chapter is an exhaustive computational treatment of the mechanism and kinetics of combustion initiation reactions of ammonium perchlorate.

Overall, this volume illustrates the progress that has been made in the field of energetic materials and some of the areas of current activity.It also indicates the challenges involved in characterizing and understanding the properties and behaviour of these compounds. The work is a unique state-of-the-art treatment of the subject, written by pre-eminent researchers in the field.

- Overall emphasis is on theory and computation, presented in the context of relevant experimental work
- Presents a unique state-of-the-art treatment of the subject
- Contributors are preeminent researchers in the field ... Read more

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Worthwhile by Association
Honestly haven't read this tome, but anything by Politzer and Murray must be worthwhile. Be sure to get this one signed, if at all possible, over a cold Pilsner Urquell. ... Read more

Book Description

In this book devoted entirely to the mathematics of long-range aperiodic order the reader will find survey and research articles on the major areas of mathematics and mathematical physics that are emerging in this new field, including tilings, discrete geometry, diffraction and harmonic analysis, self-similarity and symmetry, non-crystallographic root systems, the cut and project method, number theoretical considerations, aperiodic Ising models and Schrödinger operators. ... Read more

Book Description

The Jahn-Teller effect is manifested in a variety of phenomena in physics, chemistry and biochemistry, in many types of crystals and molecules. This book deals with fundamental questions of the quantum mechanics of systems with orbital electrons, concentrating on novel phenomena and materials such as colossal magnetoresistance, high Tc superconductivity, buckminsterfullerenes, magnetic materials and biologically important clusters. All chapters share a common general approach to the problems, based on the analysis of vibronic interaction: electron-vibrational interaction in molecules and electron-phonon interaction in crystals. With an introductory address by Edward Teller. ... Read more

Book Description

Covering a range of topics, this volume presents crystallization of polymorphs and the problems encountered in the separation of chiral compounds by selective crystallization, as well as aspects of the crystallization of amino acids, proteins, and pharmaceuticals. The introductory section includes state-of-the-art research on secondary nucleation, the mechanism for crystallization of proteins, kinetics of impurity effect on growth, and crystal morphology prediction. Other topics include the use of high-pressure crystallization in industrial processes, precipitation cases for organic and inorganic compounds, precipitation processes by antisolvents, fast reaction precipitation, and isoelectric precipitation. ... Read more

Book Description

Direct methods are now used in a variety of cases: X-ray, neutron or electron data; single crystal and powder data; small molecules and macromolecules. While direct methods solved in practice the phase problem for small molecules, their application to macromolecules is recent and still undergoing development. This book describes the fundmental methods; in particular it is shown how the methods can be optimized for powder, neutron or electron data, and how they can be integrated with isomorphous replacement, molecular replacement and anomalous dispersion techniques. Maximum entropy methods are also described and discussed. Sets of test structures are used throughout the various chapters to verify the mathematical techniques and to provide practical examples. This book offers both a comprehensive description of direct methods in crystallography and an invaluable reference tool. The first three chapters provide an introduction to the field, with sufficient material to constitute a university course. Subsequent chapters are aimed at graduate students and working crystallographers. Basic results are described and discussed in the main body of the text, while the appendices complement these with in depth mathematical details. The quoted literature is extremely wide and the interested reader can find suggestions for future work and further reading throughout the book. ... Read more

Reviews (1)

A must for direct method fans.
The book has a logical structure, goes into details and is clearly written. It provides a good starting point for every person interested in the theory behind direct- and related structure solving methods. Although the layout (most notably figures) and the index are of lower quality, the book on itself is a must. ... Read more

Book Description

Presents a mixture of tutorial chapters on theoretical and practical aspects of molecular magnetism, as well as chapters describing the most recent developments in the field. Provides a comprehensive review of organic molecule-based materials. Includes an introductory section that highlights the theory and instrumental techniques commonly employed in the field. Discusses finite systems such as organic and metal-based dimers, oligomers, and cluster molecules. Describes extended organic systems and extended metal-based systems. ... Read more