This timely and unique publication is designed for graduate students and researchers in inorganic and materials chemistry and covers bonding models and applications of symmetry concepts to chemical systems. The book discusses the quantum mechanical basis for molecular orbital concepts, the connections between molecular orbitals and localized views of bonding, group theory, bonding models for a variety of compounds, and the extension of these ideas to solid state materials in band theory. Unlike other books, the concepts are made tangible to the readers by guiding them through their implementation in MATLAB functions. No background in MATLAB or computer programming is needed; the book will provide the necessary skills. Key Features Visualization of the Postulates of Quantum Mechanics to build conceptual understanding MATLAB functions for rendering molecular geometries and orbitals Do-it-yourself approach to building a molecular orbital and band theory program Introduction to Group Theory harnessing the 3D graphing capabilities of MATLAB Online access to a growing collection of applications of the core material and other appendices Bonding through Code is ideal for first-year graduate students and advanced undergraduates in chemistry, materials science, and physics. Researchers wishing to gain new tools for theoretical analysis or deepen their understanding of bonding phenomena can also benefit from this text. About the Author Daniel Fredrickson is a Professor in the Department of Chemistry at the University of Wisconsin-Madison, where his research group focuses on understanding and harnessing the structural chemistry of intermetallic phases using a combination of theory and experiment. His interests in crystals, structure, and bonding can be traced to his undergraduate research at the University of Washington (B.S. in Biochemistry, 2000) with Prof. Bart Kahr, his Ph.D. studies at Cornell University (2000-2005) with Profs. Stephen Lee and Roald Hoffmann, and his post-doctoral work with Prof. Sven Lidin at Stockholm University (2005-2008). As part of his teaching at UW-Madison since 2009, he has worked to enhance his department's graduate course, Physical Inorganic Chemistry I: Symmetry and Bonding, through the incorporation of new material and the development of computer-based exercises.

Inspired by a symposium held at the University of Southern California, in March 1988, dedicated to Paul van R. Schleyer, contributors examine the role of 'hypercarbons' in several areas of chemistry in this book. The multicenter bonding of 'hypercarbons' relative to the chemistry of main group elements, organometallics, cluster chemistry, carbocations, and hydrocarbon chemistry are systematically covered.

In 1912, the Chemistry Nobel Prize was awarded for the discovery of the so-called Grignard reagents. Nowadays, many transition metal variants are developed to modify reactivity and selectivity of the C-C bond formation reaction. The Grignard reaction is one of the fundamental organometallic reactions, often used in alcohol syntheses. With transition metals like iron, cobalt and nickel or with noble metals like copper, silver and palladium, modern Grignard reagents can be designed in reactivity, selectivity and functional group tolerance. This book, written by international experts, presents an overview on timely Grignard chemistry involving transition metals.

The essential introduction to the understanding of the structure of inorganic solids and materials. This revised and updated 2nd Edition looks at new developments and research results within Structural Inorganic Chemistry in a number of ways, special attention is paid to crystalline solids, elucidation and description of the spatial order of atoms within a chemical compound. Structural principles of inorganic molecules and solids are described through traditional concepts, modern bond-theoretical theories, as well as taking symmetry as a leading principle.

The Biological Chemistry of Magnesium Edited by J. A. Cowan Recent years have witnessed a revolution in the understanding of magnesium biochemistry, especially the pivotal role of magnesium ion in nucleic acid biochemistry. This graduate text presents a unique and comprehensive review of all major areas of current research interest, from inorganic chemistry, nucleic acid biochemistry, and enzymology through ribozyme activation, drug-magnesium-DNA interactions, and magnesium transport by selective membrane channels. Introductory chapters provide a useful review for the non-specialist, including descriptions of essential solution chemistry and physical methods for monitoring magnesium biochemistry. Its readable style and emphasis on understanding at the molecular level makes The Biological Chemistry of Magnesium accessible and relevant to researchers and graduate students in the field, as well as non-specialists in biochemistry, molecular biology, biotechnology, bioinorganic chemistry, and pharmaceutical sciences. Also available from VCH: Inorganic Biochemistry: An Introduction J.A. Cowan Hardcover (ISBN 1-56081-537-X) Manganese Redox Enzymes V.L. Pecoraro, ed. Hardcover (ISBN 0-89573-729-9) The Bioinorganic Chemistry of Nickel J.R. Lancaster, Jr. Hardcover (ISBN 0-89573-338-2)

D. Stalke, U. Flierler: More than Just Distances from Electron Density Studies.- A.O. Madsen: Modeling and Analysis of Hydrogen Atoms.- B.B. Iversen/J. Overgaard: Charge Density Methods in Hydrogen Bond Studies.- U. Flierler, D. Stalke: Some Main Group Chemical Perceptions in the Light of Experimental Charge Density Investigations.- D. Leusser: Electronic Structure and Chemical Properties of Lithium Organics Seen Through the Glasses of Charge Density.- L. J. Farrugia, P. Macchi: Bond Orders in Metal-Metal Interactions Through Electron Density Analysis.- W. Scherer, V. Herz, Ch. Hauf: On the Nature of -Agostic Interactions: A Comparison Between the Molecular Orbital and Charge Density Picture.

The primary goal of nanotechnology is to achieve nanoscale materials and devices with atomic precision. Toward this goal, breakthroughs have recently been made in the solution-phase synthesis and applications of atomically precise nanoclusters. This book presents the exciting progress in this new research field. The chapters are contributed by leading experts of the field and cover the synthetic methods, atomic structures, electronic and optical properties, and catalytic applications of noble metal nanoclusters. Such new nanocluster materials offer exciting opportunities for chemists and physicists to understand the fundamental science of nanoclusters, especially the atomic-level structure-property correlation and design of new materials, as well as for developing a range of applications including catalysis, biomedicine, sensing, imaging, optics, and energy conversion. The book will be of interest to readers and researchers in nanotechnology, nanochemistry, catalysis, and computational chemistry, as well as practitioners in industry R&D for new materials. It is written to be accessible to undergraduate and graduate students and, therefore, is an excellent teaching material.

Molecular similarity has always been an important conceptual tool of chemists, yet systematic approaches to molecular similarity problems have only recently been recognized as a major contributor to our understanding of molecular properties. Advanced approaches to molecular similarity analysis have their foundation in quantum similarity measures, and are important direct or indirect contributors to some of the predictive theoretical, computational, and also experimental methods of modern chemistry. This volume provides a survey of the foundations and the contemporary mathematical and computational methodologies of molecular similarity approaches, where special emphasis is given to applications of similarity studies to a range of practical and industrially significant fields, such as pharmaceutical drug design. The authors of individual chapters are leading experts in various sub-fields of molecular similarity analysis and the related fundamental theoretical chemistry topics, as well as the relevant computational and experimental methodologies. Whereas in each chapter the emphasis is placed on a different area, nevertheless, the overall coverage and the wide scope of the book provides the reader with a general yet sufficiently detailed description that may serve as a good starting point for new studies and applications of molecular similarity approaches. The editors of this volume are grateful to the authors for their contributions, and hope that the readers will find this book a useful and motivating source of information in the rapidly growing field of molecular similarity analysis.

This book presents the main research advances in the field of photofunctional rare earth hybrid materials. The first chapter discusses the fundamental principles, ranging from rare earth, rare earth luminescence, luminescent rare earth compounds and photofunctional rare earth hybrid materials. The main body of the book consists of six chapters exploring different kinds of photofunctional hybrid materials, such as hybrids based on organically modified silica; organically modified mesoporous silica; functionalized microporous zeolite and metal-organic frameworks; polymer or polymer/silica composite; and multi-component assembly of hybrids. It also includes a chapter introducing the photofunctional application of these hybrid materials. It is a valuable resource for a wide readership in various fields of rare earth chemistry, chemical science and materials science.

Borate-based phosphors have attracted much attention, due to their high optical stability, low-cost synthesis via conventional and non-conventional methods and resulting technology to be environmentally friendly. This book discusses the structural and chemical parameters of borates as a phosphor including suitable synthesis methods and proper characterization of materials. Further, it includes applications of borate materials such as photoluminescence, UV application, UVU application, photo therapy application and radiological applications. Features: Provides information on borate phosphors and their structure. Aids selection of proper structural and functional borates used in applications based on phosphor technology. Discloses the modification in properties of borate functional group upon mixing or substitution with other metallic functional groups. Discusses biological applications such as photo-thermal heating-based therapy, temperature sensors, imaging, and diagnosis. Includes current trends and innovations, limitations and challenges, prospects, and scope in each chapter. This book is aimed at researchers and graduate students in inorganic materials, luminescent/optical materials, materials science/engineering, and physics.

This book provides an overview of the design, synthesis, and characterization of different photoactive hybrid organic-inorganic materials, based on the combination of mainly organic molecules and inorganic nanostructures, tackling their uses in different scientific fields from photonics to biomedicine. There are many examples extensively describing how the confinement of organic compounds (i.e. chromophores, photochromic molecules or photoreactants), or other photoactive compounds (i.e.metal clusters) into several microporous systems can modulate the photophysical properties and photochemical reactions leading to interesting applications. Among (ordered)-hosts, different systems of diverse nature are widely used, such as the, the 1D- or 3D- channels of zeolitic frameworks, interlayer space of 2D-clays, the organic nanospace of curcubituril and cyclodextrins or the organo-inorganic porous crystalline MOFs systems. This volume highlights the advances of these photoactive materials and aims to be an inspiration for researchers working in materials science and photochemistry, including chemists, material engineers, physicists, biologists, and medical researchers.

This exhaustive work in several volumes and over 2500 pages provides a thorough treatment of ultra-high temperature materials (with melting points around or over 2500 DegreesC). The first volume focuses on carbon (graphene/graphite) and refractory metals (W, Re, Os, Ta, Mo, Nb and Ir), whilst the second and third are dedicated to refractory transition metal 4-5 groups carbides. Topics included are physical (structural, thermal, electro-magnetic, optical, mechanical, nuclear) and chemical (more than 3000 binary, ternary and multi-component systems, including those used for materials design, data on solid-state diffusion, wettability, interaction with various elements and compounds in solid and liquid states, gases and chemicals in aqueous solutions) properties of these materials. It will be of interest to researchers, engineers, postgraduate, graduate and undergraduate students alike. The readers/users are provided with the full qualitative and quantitative assessment, which is based on the latest updates in the field of fundamental physics and chemistry, nanotechnology, materials science, design and engineering.

Reactive and functional polymers are manufactured with the aim of improving the performance of unmodified polymers or providing functionality for different applications. These polymers are created mainly through chemical reactions, but there are other important modifications that can be carried out by physical alterations in order to obtain reactive and functional polymers. This volume presents a comprehensive analysis of these reactive and functional polymers. Reactive and Functional Polymers Volume Two considers the coupling, crosslinking and grafting reactions to improve the compatibility of reactive and functional polymer blends. In this book, world-renowned researchers have participated, including Dr. Sabu Thomas (Editor-in-chief for the journal 'Nano-Structures & Nano-Objects'). With its comprehensive scope and up-to-date coverage of issues and trends in Reactive and Functional Polymers, this is an outstanding book for students, professors, researchers and industrialists working in the field of polymers and plastic materials.

A comparative examination of electron-deficient species -from leading researchers in the field.
The Borane, Carborane, Carbocation Continuum explores the emerging understanding of the similarities of properties and behavior shared by these electron-deficient species. Based on the work presented at a trailblazing symposium held at the Loker Hydrocarbon Research Institute of the University of Southern California, it brings together the contributions of distinguished scientists from around the world, including Nobel Prize winners George A. Olah and William N. Lipscomb, to illustrate the results of research on the structures and bonding characteristics of boranes, carboranes, and carbocations.
As electron-deficient compounds find a place in today's high-field NMR systems and other cutting-edge areas, this unique volume contains important information for advanced students as well as professionals working in organic, inorganic, or physical chemistry, with sections on:
* Patterns of structure in boranes and carboranes -including vertex homogeneity, boron cluster patterns, and seco-systematization of boranes and heteroboranes
* The carborane -carbocation continuum -from boron super-electrophiles and their carbocation analogs to cage systems
* Untangling molecular structures -mechanistic patterns in carborane reactions, advances in metallacarborane sandwich chemistry, and other topics
* New species of boranes and carboranes -such as isoelectronic borane, hydrocarbon, and carbocation metal complexes, and cyclic organohydroborate anions.

Molten salts and fused media provide the key properties and the theory of molten salts, as well as aspects of fused salts chemistry, helping you generate new ideas and applications for fused salts. "Molten Salts Chemistry: From Lab to Applications" examines how the electrical and thermal properties of molten salts, and generally low vapour pressure are well adapted to high temperature chemistry, enabling fast reaction rates. It also explains how their ability to dissolve many inorganic compounds such as oxides, nitrides, carbides and other salts make molten salts ideal as solvents in electrometallurgy, metal coating, treatment of by-products and energy conversion. This book also reviews newer applications of molten salts including materials for energy storage such as carbon nano-particles for efficient super capacitors, high capacity molten salt batteries and for heat transport and storage in solar plants. In addition, owing to their high thermal stability, they are considered as ideal candidates for the development of safer nuclear reactors and for the treatment of nuclear waste, especially to separate actinides from lanthanides by electrorefining.
Explains the theory and properties of molten salts to help scientists understand these unique liquidsProvides an ideal introduction to this expanding fieldIllustrated text with key real-life applications of molten salts in synthesis, energy, nuclear, and metal extraction

This book focuses on recent topics of quantum science in both physics and chemistry. Until now, quantum science has not been fully discussed from the interdisciplinary vantage points of both physics and chemistry. This book, however, is written not only for theoretical physicists and chemists, but also for experimentalists in the fields of physical chemistry and condensed matter physics, as collaboration and interplay between construction of quantum theory, and experimentation has become more important. Tips for starting new types of research projects will be found in an understanding of cutting-edge quantum science. In Part I, quantum electronic structures are explained in cases of strongly correlated copper oxides and heavy elements. In Part II, quantum molecular dynamics is investigated by computational approaches and molecular beam experiments. In Part III, after lithium problem in big bang nucleosynthesis scenario is considered using supersymmetric standard model, quantum theories in atomic and molecular systems are reviewed. Finally, in Part IV, the development of quantum computational method is introduced.

The elucidation of reaction mechanisms generally requires the carefully designed control of molecular symmetry to distinguish between the many possible reaction pathways. Making and Breaking Symmetry in Chemistry emphasises the crucial role played by symmetry in modern synthetic chemistry. After discussion of a number of famous classical experiments, the advances brought about by the introduction of new techniques, in particular NMR spectroscopy, are exemplified in numerous cases taken from the recent literature. Experimental verification of many of the predictions made in Woodward and Hoffmann's explication of the Conservation of Orbital Symmetry are described. Applications that involve the breaking of molecular symmetry to resolve these and other mechanistic problems in organic, inorganic and organometallic chemistry are presented in the first sections of the book, together with many examples of the detection of hitherto hidden rearrangement processes.Subsequently, under the aegis of making molecular symmetry, examples of the preparation of highly symmetrical molecules found in the organic, organometallic or inorganic domains are discussed. These include Platonic hydrocarbons or boranes, tetrahedranes, cubanes, prismanes, dodecahedrane, fullerene fragments such as corannulene, sumanene or semibuckminsterfullerene, and other systems of unusual geometries or bonding characteristics (Moebius strips, molecular brakes and gears, Chauvin's carbomers, Fitjer's rotanes, persubstituted rings, metal-metal multiple bonds, etc.). The text also contains vignettes of many of the scientists who made these major advances, as well as short sections that briefly summarise key features of important topics that underpin the more descriptive material. These include some aspects of chirality, NMR spectroscopy, and the use of isotopic substitution to break molecular symmetry. A brief appendix on point group symmetry and nomenclature is also helpfully provided.

The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the purview of Structure and Bonding to the extent that the focus is on the scientific results obtained and not on specialist information concerning the techniques themselves. Issues associated with the development of bonding models and generalizations that illuminate the reactivity pathways and rates of chemical processes are also relevant.
The individual volumes in the series are thematic. The goal of each volume is to give the reader, whether at a university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to a larger scientific audience. Thus each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years should be presented using selected examples to illustrate the principles discussed. A description of the physical basis of the experimental techniques that have been used to provide the primary data may also be appropriate, if it has not been covered in detail elsewhere. The coverage need not be exhaustive in data, but should rather be conceptual, concentrating on the new principles being developed that will allow the reader, who is not a specialist in the area covered, to understand the data presented. Discussion of possible future research directions in the area is welcomed.

Electrochemical processes are long known but are becoming increasingly important again, due to modern applications, such as electro-mobility or energy storage. Thus, electrochemistry is not only a topic for chemists and physicists, but also for technical engineers. This book addresses all aspects of electrochemistry, which are important in these days: electrodes, corrosion, interphases, processes, energy storage, analytical methods, and sensors.

Now in its fifth edition, Housecroft & Sharpe's Inorganic Chemistry is a well-respected and leading international textbook. This Solutions Manual accompanies the main text and provides model answers to the end-of-chapter problems, linking to relevant sections and figures in the main text as appropriate. Solutions in this manual are fully worked, making them of maximum benefit to students during in-course assessment and end-of-course examination problems. Using the Solutions Manual will reinforce learning and develop subject knowledge and skills. The solutions are referenced into the literature and diagrams are simplified to coach students in how to achieve a similar style in their own work.

As concerns with the efficient use of energy resources, and the minimization of environmental damage have come to the fore, there has been a renewed interest in the role that thermoelectric devices could play in generating electricity from waste heat, enabling cooling via refrigerators with no moving parts, and many other more specialized applications. The main problem in realizing this ambition is the rather low efficiency of such devices for general applications. This book deals with the proceedings of a workshop addressed that problems by reviewing the latest experimental and theoretical work on suitable materials for device applications and by exploring various strategies that might increase their efficiency.

The proceedings cover a broad range of approaches, from the experimental work of fabricating new compounds through to theoretical work in characterizing and understanding their properties. The effects of strong electron correlation, disorder, the proximity to metal-insulator transitions, the properties of layered composite materials, and the introduction of voids or cages into the structure to reduce the lattice thermal conductivity are all explored as ways of enhancing the efficiency of their use in thermoelectric devices.

Electronic, optical, mechanical and medical appliances are just a few examples of modern applications that use tantalum and niobium. In Chemistry of Tantalum and Niobium Fluoride Compounds, the author draws on thirty years' experience to produce the first ever monograph to systemize and summarize the data available on tantalum and niobium fluoride compounds. This comprehensive reference source offers a rich variety of study methodology and is invaluable to researchers examining the chemistry of fluorides, as well as teachers and students in chemistry and metallurgy.
* Collects the latest research on the chemistry of complex fluorides and oxyfluorides of Tantalum and Niobium.
* Covers both theory and application of Tantalum and Niobium Fluoride Chemistry
* Is suitable for tantalum and niobium producers, researchers studying the chemistry of fluorides, as well as teachers and students in chemistry and metallurgy

This is the second of two volumes that together provide an integrated picture of the Montenegrin Adriatic coast, presenting the natural components of the system as well as the chemical composition and chemical processes in the extended area. This book covers all aspects of marine chemistry such as the hydrographic and oceanographic characteristics of seawater, the toxicity of heavy metals in the marine environment, the quality of marinas and maritime areas, and the legal regime for protecting the marine environment from pollution. Given the breadth and depth of its coverage, the book offers an invaluable source of information for researchers, students and environmental managers alike.

The field of low-dimensional conductors has been very active for more than twenty years. It has grown continuously and both the inorganic and organic materials have remark able properties, such as charge and spin density waves and superconductivity. The discovery of superconductivity at high temperature in copper-based quasi two-dimensional conducting oxides nearly ten years ago has further enlarged the field and stimulated new research on inorganic conductors. It was obviously impossible to cover such a broad field in a ten day Institute and it seemed pertinent to concentrate on inorganic conductors, excluding the high Tc superconducting oxides. In this context, it was highly desirable to include both physics and chemistry in the same Institute in order to tighten or in some cases to establish links between physicists and chemists. This Advanced Study Institute is the continuation of a series of similar ones which have taken place every few years since 1974. 73 participants coming from 13 countries have taken part in this School at the beautiful site of the Centre de Physique des Houches in the Mont-Blanc mountain range. The scientific programme included more than forty lectures and seminars, two poster sessions and ten short talks. Several discussion sessions were organized for the evenings, one on New Materials, one on New Topics and one on the special problem of the Fermi and Luttinger liquids. The scientific activity was kept high from the beginning to the end of the Institute.

This unique book presents an integrated approach to the chemistry of art materials, exploring the many chemical processes involved. The Chemistry and Mechanism of Art Materials: Unsuspected Properties and Outcomes engages readers with historical vignettes detailing examples of unexpected outcomes due to materials used by known artists. The book discusses artists' materials focusing on relevant chemical mechanisms which underlie the synthesis and deterioration of inorganic pigments in paintings, the ageing of the binder in oil paintings, and sulfation of wall paintings as well as the toxicology of these pigments and solvents used by artists. Mechanisms illustrate the stepwise structural transformation of a variety of art materials. Based on the author's years of experience teaching college chemistry, the approach is descriptive and non-mathematical throughout. An introductory section includes a review of basic concepts and provides concise descriptions of analytical methods used in contemporary art conservation. Additional features include: Illustrations of chemical reactivity associated with art materials Includes a review of chemical bonding principles, redox and mechanism writing Covers analytical techniques used by art conservation scientists Accessible for readers with a limited science background Provides numerous references for readers seeking additional information