Spectroscopic Properties of Inorganic and Organometallic Compounds provides a unique source of information on an important area of chemistry. Divided into sections mainly according to the particular spectroscopic technique used, coverage in each volume includes: NMR (with reference to stereochemistry, dynamic systems, paramagnetic complexes, solid state NMR and Groups 13-18); nuclear quadrupole resonance spectroscopy; vibrational spectroscopy of main group and transition element compounds and coordinated ligands; and electron diffraction. Reflecting the growing volume of published work in this field, researchers will find this Specialist Periodical Report an invaluable source of information on current methods and applications. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading experts in their specialist fields, this series is designed to help the chemistry community keep current with the latest developments in their field. Each volume in the series is published either annually or biennially and is a superb reference point for researchers. www.rsc.org/spr

To the eyes of a chemist, carbon is certainly one of the most fascinating elements of the periodic table. Basically, the electronic structure and atomic size of carbon enables this element to form a variety of bonds with other elements and, most importantly, with other carbon atoms as weIl. These unique features lead to the amazingly complicated molecular structures we encounter e. g. in life sciences and organic chemistry. Of course, the technical importance of carbon is enormou- but I don't want to carry too many coals to Newcastle. Prom the viewpoint of an astrophysicist or chemist, the significance of carbon lies in the fact that it is the most abundant condensable element in space. Born in the interior of stars, and from there expelled into the interstellar medium, it initiates the formation of simple and complex molecules and of nanoscopic grains. These in turn form huge clouds in space - the birthplace of new stars and planetary systems. The decisive role of carbon in interstellar chemistry is widely accepted and the search for more and more families of interstellar carbon-bearing molecules is a topic of ongoing research. The interdisciplinary aspect of carbon also concerns its various solid forms, in which C and the other closed-cage fullerenes are certainly some of the most popular 60 newcomers.

Biological inorganic chemistry is a field of research at the interface of inorganic and biological chemistry. The rapidly developing insights into the role of metals in biological systems has far-reaching implications not only for biological science but also for related disciplines, ranging from molecular medicine to the environment. In each volume the reader, whether engaged in chemistry, biochemistry, biology or molecular medicine, receives a comprehensive summary and critical overview of a topic of high current interest written by leading international experts.

For a long time, the properties of transition metal and rare earth compounds have fascinated chemists and physicists from a scientific view-point, and more recently also their enormous potential as new materials has been explored. Applications in different fields have already been realized or are under c- rent investigation, for example, new laser materials, IR to visible upconversion systems, compounds for photolithographic processes, systems involving pho- redox processes for solar energy conversion, new photovoltaic devices, chemical sensors, biosensors, electroluminescent devices (OLEDs) for flat panel display systems, supramolecular devices with wide-range definable photophysical properties, materials for energy harvesting, optical information and storage systems, etc. Metal complexes are also highly important in biology and me- cine. Most of the applications mentioned are directly related to the properties of the electronic ground state and the lower-lying excited states. Metal complexes with organic ligands or organometallic compounds exhibit outstanding features as compared to purely organic molecules. For instance, metal compounds can often be prepared and applied in different oxidation states. Furthermore, various types of low-lying electronic excitations can be induced by a suitable choice of ligands, for example, such as metal-centered transitions (MC, e. g. d-d* tran- tion), ligand-centered (LC, e. g. n-n*), metal-to-ligand-charge transfer (MLCT, e. g. d-7r*), intra-ligand-charge-transfer (ILCT) transitions, etc. In particular, the orbitals involved in the resulting lowest excited states determine the photoph- ical and photochemical properties and thus the specific use of the compoun

Spectroscopic Properties of Inorganic and Organometallic Compounds provides a unique source of information on an important area of chemistry. Divided into sections mainly according to the particular spectroscopic technique used, coverage in each volume includes: NMR (with reference to stereochemistry, dynamic systems, paramagnetic complexes, solid state NMR and Groups 13-18); nuclear quadrupole resonance spectroscopy; vibrational spectroscopy of main group and transition element compounds and coordinated ligands; and electron diffraction. Reflecting the growing volume of published work in this field, researchers will find this Specialist Periodical Report an invaluable source of information on current methods and applications. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading experts in their specialist fields, this series is designed to help the chemistry community keep current with the latest developments in their field. Each volume in the series is published either annually or biennially and is a superb reference point for researchers. www.rsc.org/spr

Computer simulation techniques are now having a major impact on almost all areas of the physical and biological sciences. This book concentrates on the application of these methods to inorganic materials, including topical and industrially relevant systems including zeolites and high Tc superconductors.
The central theme of the book is the use of modern simulation techniques as a structural tool in solid state science. Computer Modelling in Inorganic Crystallography describes the current range of techniques used in modeling crystal structures, and strong emphasis is given to the use of modeling in predicting new crystal structures and refining partially known structures. It also reviews new opportunities being opened up by electronic structure calculation and explains the ways in which these techniques are illuminating our knowledge of bonding in solids.
Key Features
* Includes a thorough review of the technical basis of relevant contemporary methodologies including minimization, Monte-Carlo, molecular dynamics, simulated annealing methods, and electronic structure methods
* Highlights applications to amorphous and crystalline solids
* Surveys simulations of surface and defect properties of solids
* Discusses applications to molecular and inorganic solids

Humans have been "manually" extracting patterns from data for centuries, but the increasing volume of data in modern times has called for more automatic approaches. Early methods of identifying patterns in data include Bayes' theorem (1700s) and Regression analysis (1800s). The proliferation, ubiquity and incre- ing power of computer technology has increased data collection and storage. As data sets have grown in size and complexity, direct hands-on data analysis has - creasingly been augmented with indirect, automatic data processing. Data mining has been developed as the tool for extracting hidden patterns from data, by using computing power and applying new techniques and methodologies for knowledge discovery. This has been aided by other discoveries in computer science, such as Neural networks, Clustering, Genetic algorithms (1950s), Decision trees (1960s) and Support vector machines (1980s). Data mining commonlyinvolves four classes of tasks: * Classi cation: Arranges the data into prede ned groups. For example, an e-mail program might attempt to classify an e-mail as legitimate or spam. Common algorithmsinclude Nearest neighbor,Naive Bayes classi er and Neural network. * Clustering: Is like classi cation but the groups are not prede ned, so the algorithm will try to group similar items together. * Regression: Attempts to nd a function which models the data with the least error. A common method is to use Genetic Programming. * Association rule learning: Searches for relationships between variables. For example, a supermarket might gather data of what each customer buys.

Spectroscopic Properties of Inorganic and Organometallic Compounds provides a unique source of information on an important area of chemistry. Divided into sections mainly according to the particular spectroscopic technique used, coverage in each volume includes: NMR (with reference to stereochemistry, dynamic systems, paramagnetic complexes, solid state NMR and Groups 13-18); nuclear quadrupole resonance spectroscopy; vibrational spectroscopy of main group and transition element compounds and coordinated ligands; and electron diffraction. Reflecting the growing volume of published work in this field, researchers will find this Specialist Periodical Report an invaluable source of information on current methods and applications. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading experts in their specialist fields, this series is designed to help the chemistry community keep current with the latest developments in their field. Each volume in the series is published either annually or biennially and is a superb reference point for researchers. www.rsc.org/spr

The alkali halide crystals have always been at the centre stage of solid-state physics. They have been "model crystals" for testing many solid-state theories. In recent decades, they have also proved useful in several applications ranging from X-ray monochromators to tunable lasers. Because of this dual importance - both purely scientific and technological - a vast amount of information has been generated on all aspects of the alkali halides. This information has thus far been scattered throughout numerous journals and reference sources. This handbook brings together a wide range of information on the experimentally determined properties of the alkali halides. Some theoretically derived parameters have also been included. All the important literature from 1950 to 2000 has been surveyed. Providing in a single volume all essential information on the physical properties of alkali halides, this book will be a valuable reference for solid-state physicists and materials scientists.

This book provides a detailed, wide ranging and up-to-date review of all aspects of the chemistry of the elements arsenic, antimony and bismuth. The chapters are written by an international team of authors each of whom is both active and expert in their particular field. The coverage includes chapters on general properties and periodicity, the elements themselves, inorganic derivatives of the elements, co-ordination and solution chemistry, organocompounds, organotransition metal compounds, environmental and medicinal aspects and analytical methods. This volume will be of particular value to graduate and postgraduate chemists and materials scientists in both industry and academia who are concerned with any aspect of the chemistry of these three elements and will also be an essential addition to the reference section of any chemistry library.

Spectroscopic Properties of Inorganic and Organometallic Compounds provides a unique source of information on an important area of chemistry. Divided into sections mainly according to the particular spectroscopic technique used, coverage in each volume includes: NMR (with reference to stereochemistry, dynamic systems, paramagnetic complexes, solid state NMR and Groups 13-18); nuclear quadrupole resonance spectroscopy; vibrational spectroscopy of main group and transition element compounds and coordinated ligands; and electron diffraction. Reflecting the growing volume of published work in this field, researchers will find this Specialist Periodical Report an invaluable source of information on current methods and applications. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading experts in their specialist fields, this series is designed to help the chemistry community keep current with the latest developments in their field. Each volume in the series is published either annually or biennially and is a superb reference point for researchers. www.rsc.org/spr

A thorough assessment of the applications of inorganic mass spectrometry

Mass spectrometry is a powerful analytical technique used to identify unknown compounds, to quantify known materials, and to elucidate the structural and chemical properties of molecules. Inorganic mass spectrometry focuses on the analysis of metals and elements rather than organic compounds. Applications of Inorganic Mass Spectrometry describes developments in mass spectrometric instrumentation, together with applications in metrology, nuclear science, cosmochemistry, geoscience, environmental science, and planetary science.

Divided into two parts, the first part of the book reviews the numerous technological advances that have occurred in mass spectrometry since 1947, a date regarded as the birth of modern mass spectrometry. The second part offers an up-to-date description of the many applications of inorganic mass spectrometry and includes a comprehensive set of references for each application.

It is doubtful that any other analytical instrument has had such a significant impact in so many fields of science as mass spectrometry. Applications of Inorganic Mass Spectrometry provides researchers, scientists, and engineers with an essential reference for this vital science.

Focusing on practical applications, the author provides a balanced introduction to the many possible technological uses of metal complexes. Coverage includes the transition metals, lanthanide and actinide complexes, metal porphyrins, and many other complexes. This volume meets the needs of students and scientists in inorganic chemistry, chemical physics, and solid-state physics.

Organized to facilitate reference to the reagents involved, this book describes the reactions of the elements and their mostly simpler compounds, primarily inorganic ones and primarily in water. The book makes available some of the more comprehensive coverage of descriptive aqueous chemistry found in older sources, but now corrected and interpreted with the added insights of the last seven decades.

This volume contains most of the contributions presented at the NATO Advanced Research Workshop on Rare Earth Transition Metal Borocarbides (Nitrides): Superconducting, Magnetic and Normal State Properties, held in Dresden, Germany at 13 - 18 June 2000. The Workshop was chaired by K. -H. MUller and V. N. Narozhnyi. This was the first meeting specially focused on the quaternary rare-earth transition-metal borocarbides and nitrides - a new class of magnetic superconductors discovered in 1994. The motivation for organizing this workshop was to bring together scientists (both experimentalists and theoreticians), actively working in this field in different countries, using different methods, to exchange their points of view on the properties ofthese materials and to recognize the directions for future research. Totally 48 participants from 17 countries ofEurope, the United States, BraZil, India, Israel and Japan took part in this meeting. In addition about 15 observers (mainly from Germany) attended. The scientific Programme of the Workshop was composed of 7 sections. The section Introduction and Overview was followed by the Electronic Structure and Properties and Phonon Spectra; Magnetic Properties and CEF Effects; Interplay between Superconductivity and Magnetism; Vortex Lattice; Thin Films; Nature of the Superconducting State in Borocarbides sections. Totally 50 presentations were given (45 ofthem in oral form). Considerable attention was devoted to the characterization of the particular place of borocarbides amongst the other magnetic and superconducting systems and, especially, magnetic superconductors.

Spectroscopic Properties of Inorganic and Organometallic Compounds provides a unique source of information on an important area of chemistry. Divided into sections mainly according to the particular spectroscopic technique used, coverage in each volume includes: NMR (with reference to stereochemistry, dynamic systems, paramagnetic complexes, solid state NMR and Groups 13-18); nuclear quadrupole resonance spectroscopy; vibrational spectroscopy of main group and transition element compounds and coordinated ligands; and electron diffraction. Reflecting the growing volume of published work in this field, researchers will find this Specialist Periodical Report an invaluable source of information on current methods and applications. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading experts in their specialist fields, this series is designed to help the chemistry community keep current with the latest developments in their field. Each volume in the series is published either annually or biennially and is a superb reference point for researchers. www.rsc.org/spr

From boyhood in the coal-mining village of Coello, Illinois, to winning the Priestly Medal and becoming the president of the American Chemical Society, Professor Emeritus Fred Basolo of Northwestern University traces the intertwined development of his life, career, and the field of inorganic chemistry. With over a hundred photographs and dozens of structures and equations, From Coello to Inorganic Chemistry details the major innovations, travels, family life, and guests hosted while helping to build one of the world's leading inorganic chemistry departments from its humble beginnings at Northwestern University. Students and chemists with interests in bioinorganic chemistry, catalysis, nanoscience, new materials research, and organometallics can follow the emergence of inorganic chemistry as a rival to organic chemistry through the accomplishments of one of its most influential pioneers.

Flame retardant materials are of vital importance in guaranteeing personal security. Especially the demand for non-toxic, low smoking, polymerized flame retardants increases and new materials enter the market. The authors present the fundamental theory of polymer combustion, compare different flame retardants, describe smoke suppression mechanisms, and explain analyzing techniques for new materials.

The discovery of fullerenes, species belonging to the electronodeficient polyalkenes with weakly conjugated double bonds, has opened novel opportunities for the radical chemistry. Pioneering study in this field was performed by P. J. Krusic, E. Wasserman, P. N. Keizer, J. R. Morton, and K. F. Preston (Science, 1991, 254, 1184). The fullerenyl radical adducts formed via addition of atoms or free radicals to fullerenes have no analogs in organic chemistry. In fact, radicals in which the unpaired electrons are delocalized over the surface of a sphere or ellipsoid have never been studied before. The unusual character of the fullerenyl radicals is also due to the fact that they occupy a sort of intermediate position between the planar and tetrahedral radicals. Thus, the elucidation of the characteristic features of fullerenyl radicals and their reactivity by EPR spectroscopy, and the comparison of the results with those of quantum-chemical studies are of fundamental importance. Isolation of the products from homolytic reactions of fullerenes in bulk amounts opens the door to large-scale preparation of new organic and organoelement derivatives of including biologically active ones. Radical reactions of fullerenes find wide application in the synthesis of fullere- containing polymers with valuable photophysical characteristics. Ferromagnetism of the complex of with tetra(dimethylamino)ethylene found lends impetus to a search of novel methods for preparation of biradicals one unpaired electron of those is located on the fullerene cage while the other retained by the addend.

In common with the editor of the first edition, my own personal involvement with tin chemistry began when I had the privilege of studying for a PhD degree under the supervision of Professor Alwyn G. Davies FRS at University College London (UCL) almost exactly 30 years ago. Then, following 21 years' service with the International Tin Research Institute, it was a great pleasure for me when the wheel turned full circle and, in 1994, Alwyn - now an Emeritus Professor - asked me to return to UCL as an Honorary Research Fellow in the Chemistry Department. One of my first tasks was when I received an invitation from Blackie A&P to edit the second edition of the Chemistry of Tin, which I was delighted to accept, since it enabled me to continued my life-long interest in tin chemistry and to maintain contact with my former friends and colleagues, many of whom have contributed to this book.

Quantum mechanics provides the fundamental theoretical apparatus for describing the structure and properties of atoms and molecules in terms of the behaviour of their fundamental components, electrons and nudeL For heavy atoms and molecules containing them, the electrons can move at speeds which represent a substantial fraction of the speed of light, and thus relativity must be taken into account. Relativistic quantum mechanics therefore provides the basic formalism for calculating the properties of heavy-atom systems. The purpose of this book is to provide a detailed description of the application of relativistic quantum mechanics to the many-body prob lem in the theoretical chemistry and physics of heavy and superheavy elements. Recent years have witnessed a continued and growing interest in relativistic quantum chemical methods and the associated computa tional algorithms which facilitate their application. This interest is fu elled by the need to develop robust, yet efficient theoretical approaches, together with efficient algorithms, which can be applied to atoms in the lower part of the Periodic Table and, more particularly, molecules and molecular entities containing such atoms. Such relativistic theories and computational algorithms are an essential ingredient for the description of heavy element chemistry, becoming even more important in the case of superheavy elements. They are destined to become an indispensable tool in the quantum chemist's armoury. Indeed, since relativity influences the structure of every atom in the Periodic Table, relativistic molecular structure methods may replace in many applications the non-relativistic techniques widely used in contemporary research."

This book explores the development of the first open-shell heavier tetrylidyne complexes featuring a tetrel-centered unpaired electron, and unprecedented metallatetrylidynes containing a multiply-bonded, linear-coordinated single heavier tetrel atom embedded between two metal centers. The chemistry of compounds featuring triple bonds of the heavier Group-14 elements Si-Pb with transition metals is a very challenging research area, which combines modern molecular main-group element with transition-metal chemistry, and is of fundamental importance for the understanding of chemical bonding. During the last 15 years, the research in this area has witnessed considerable progress in isolating a series of closed-shell tetrylidyne complexes. However, despite numerous attempts, open-shell tetrylidyne complexes and heavier group 14 element congeners of metallacarbynes and carbide complexes remained inaccessible. In this book, readers will find more about the synthesis, full characterization and reactivity studies of these novel complexes that uncovered a plethora of exceptional products, including a novel m3-silicido complex, the first dimetallasilacumulene with a linear, two-coordinated single silicon atom and the first compounds of planar tetracoordinated silicon (ptSi) (Anti-van't Hoff-Le Bell Silicon). Readers will also learn about the isolation and full characterization of the first room-temperature stable disilavinylidene, a silicon analogue of the very reactive vinylidenes (R2C=C:), and the first intermetallic plumbylidyne ligand transfer reactions.

The 2003 International Conference "Hydrogen Materials Science and Chemistry of Carbon Nanomaterials" was held in September 2003. In the tradition of the earlier ICHMS conferences, this meeting served as an interdisciplinary forum for the presentation and discussion of the most recent research on transition to hydrogen-based energy systems, technologies for hydrogen production, storage, utilization, materials, energy and environmental problems. The aim of the volume is to provide an overview of the latest scientific results on research and development in the different topics cited above. The representatives from industry, public laboratories, universities and governmental agencies have presented the most recent advances in hydrogen concepts, processes and systems, to evaluate current progress in these areas of investigations and to identify promising research directions for the future.