This thesis demonstrates the novel magnetic functionalities in cyanido-bridged metal assemblies, and as such appeals to readers in the field of materials science. The utilization of octacyanidometalates as building blocks enables the observation of (i) photo-induced magnetization due to a light-induced spin-crossover in an iron octacyanidoniobate-based assembly, (ii) photo-induced magnetization with a two-step spin-crossover behavior in an iron octacyanidoniobate-based material, and (iii) the coexistence of super-ionic conductivity and metamagnetism in a manganese-octacyanoniobate system. These multi-functionalities are achieved by incorporating a spin-crossover moiety or a hydrogen-bonding network into a cyanido-bridged network structure with a strong magnetic interaction. In particular, in light-induced spin-crossover magnets, a magnetically non-ordered state can be altered to a magnetically ordered state by photo-irradiation, which is one of the attractive mechanisms for novel optical switching devices.

Density functional theory (DFT) is by now a well-established method for tackling the quantum mechanics of many-body systems. Originally applied to compute properties of atoms and simple molecules, DFT has quickly become a work horse for more complex applications in the chemical and materials sciences. The present set of lectures, spanning the whole range from basic principles to relativistic and time-dependent extensions of the theory, is the ideal introduction for graduate students or nonspecialist researchers wishing to familiarize themselves with both the basic and most advanced techniques in this field.

With the recent advent of nanotechnology, research and development in the area of nanostructured catalysts has gained unprecedented prominence. Novel materials with potentially exciting new applications in catalysis are being discovered at a much higher rate than ever before. Innovative tools to fabricate, manipulate, characterize, and evaluate such materials are being developed and expanded. To keep pace with this extremely rapid growth, it is necessary to take a breath from time to time, to critically assess the current knowledge and provide thoughts for future developments. This book represents one of these moments, as a number of prominent scientists in nanostructured catalysts join forces to provide insightful reviews of their areas of expertise; thus, offering an overall picture of the state-of-the art of the field.

Nanostructured materials designate an increasing number of materials with designed shapes, surfaces, structures, pore systems, etc. In general, nanostructured catalysts have modified surfaces, including materials whose surfaces have been altered via such techniques as grafting and tethering of organic or organometallic species, or through various deposition procedures including electro, electroless, and vapor deposition, or simple adsorption. Materials with designed regular pore systems, such as zeolites, metallophosphates, periodic mesoporous materials, nanoporous organic, and organometallic materials are also members of the large family of nanostructured materials. These materials are of paramount importance, particularly in catalysis.

One of the most distinctive characteristics of this book is the fact that it is all-inclusive, since most of the materialslisted above have been dealt with in a concise and informative manner. With fourteen up-to-date reports on the design, synthesis, and catalytic properties of nanostructured materials, this book sets the stage for things to come in this area. The development of novel catalysts, taking advantage of the many interesting attributes of periodic nanoporous materials, and the discovery of innovative materials, such as polymer- silica nanocomposites and confined nanoparticles, are some of the leading ideas for future work in the increasingly important field of nanostructured catalysts.

Come on a journey into the heart of matter,and enjoy the process!,as a brilliant scientist and entertaining tour guide takes you on a fascinating voyage through the Periodic Kingdom, the world of the elements. The periodic table, your map for this trip, is the most important concept in chemistry. It hangs in classrooms and labs throughout the world, providing support for students, suggesting new avenues of research for professionals, succinctly organizing the whole of chemistry. The one hundred or so elements listed in the table make up everything in the universe, from microscopic organisms to distant planets. Just how does the periodic table help us make sense of the world around us? Using vivid imagery, ingenious analogies, and liberal doses of humour P. W. Atkins answers this question. He shows us that the Periodic Kingdom is a systematic place. Detailing the geography, history and governing institutions of this imaginary landscape, he demonstrates how physical similarities can point to deeper affinities, and how the location of an element can be used to predict its properties. Here's an opportunity to discover a rich kingdom of the imagination kingdom of which our own world is a manifestation.

Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area.
Theoretical methods have dramatically extended the reach and grasp of atmospheric scientists. This edition of Advances in Quantum Chemistry collects a broad range of articles that provide reports from the leading edge of this interaction. The chemical systems span the range from atoms to clusters to droplets. Electronic structure calculations are used to uncover the details of the breakdown and removal of emissions from the atmosphere and the simultaneous development of air pollution including ozone and particles. The anomalous enrichment of heavy isotopes in atmospheric ozone is discussed using RRKM theory, and a number of techniques are presented for calculating the effect of isotopic substitution on the absorption spectra of atmospheric molecules.
* Publishes articles, invited reviews and proceedings of major international conferences and workshops
* Written by leading international researchers in quantum and theoretical chemistry
* Highlights important interdisciplinary developments

The breadth of scientific and technological interests in the general topic of photochemistry is truly enormous and includes, for example, such diverse areas as microelectronics, atmospheric chemistry, organic synthesis, non-conventional photoimaging, photosynthesis, solar energy conversion, polymer technologies, and spectroscopy. This Specialist Periodical Report on Photochemistry aims to provide an annual review of photo-induced processes that have relevance to the above wide-ranging academic and commercial disciplines, and interests in chemistry, physics, biology and technology. In order to provide easy access to this vast and varied literature, each volume of Photochemistry comprises sections concerned with photophysical processes in condensed phases, organic aspects which are sub-divided by chromophore type, polymer photochemistry, and photochemical aspects of solar energy conversion. Volume 34 covers literature published from July 2001 to June 2002. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading authorities in the relevant subject areas, the series creates a unique service for the active research chemist, with regular, in-depth accounts of progress in particular fields of chemistry. Subject coverage within different volumes of a given title is similar and publication is on an annual or biennial basis.

The book considers the main growth-related phenomena occurring during epitaxial growth, such as thermal etching, doping, segregation of the main elements and impurities, coexistence of several phases at the crystal surface and segregation-enhanced diffusion.
It is complete with tables, graphs and figures, which allow fast determination of suitable growth parameters for practical applications.

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. Review articles for the individual volumes are invited by the volume editors. Readership: research scientists at universities or in industry, graduate students Special offer For all customers who have a standing order to the print version of Structure and Bonding, we offer free access to the electronic volumes of the Series published in the current year via SpringerLink.com

This book describes state-of-the-art borylation chemistry using copper(I) catalysis. Enantioselective reactions are included to afford a variety of functionalized, complex organoboronate esters, which will find wide application in asymmetric synthesis, drug discovery, and material science. Organoboron compounds are recognized as useful reagents in organic synthesis; therefore, great effort has been devoted to the development of a simple, mild, and efficient method for their preparation in the past several years. However, the synthesis of functionalized organoboron compounds remains a challenging issue because known reactions often require the use of highly reactive organometallic carbon nucleophiles. This book focuses on conceptually new, formal nucleophilic copper(I)-catalyzed borylation reactions with diboron compounds that show high selectivity and excellent functional group compatibility. Theoretical studies based on density functional theory calculations to understand the reaction mechanisms have also been described. Advances in this novel borylation chemistry will allow the rapid and efficient synthesis of complex molecules with potentially interesting properties in combination with the boron functionalization process.

There is an increasing challenge for chemical industry and research institutions to find cost-efficient and environmentally sound methods of converting natural resources into fuels chemicals and energy. Catalysts are essential to these processes and the Catalysis Specialist Periodical Report series serves to highlight major developments in this area. This series provides systematic and detailed reviews of topics of interest to scientists and engineers in the catalysis field. The coverage includes all major areas of heterogeneous and homogeneous catalysis and also specific applications of catalysis such as NOx control kinetics and experimental techniques such as microcalorimetry. Each chapter is compiled by recognised experts within their specialist fields and provides a summary of the current literature. This series will be of interest to all those in academia and industry who need an up-to-date critical analysis and summary of catalysis research and applications. Catalysis will be of interest to anyone working in academia and industry that needs an up-to-date critical analysis and summary of catalysis research 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.

Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area.

Quasielastic neutron scattering has made many important contributions to the atomistic elucidation of diffusion processes in solids. The aim of this book is to inform researchers in solid state physics, solid state chemistry, and inorganic materials science of the potential of quasielastic neutron scattering. The book has been written for experimentalists and contains in its first part the theoretical background on neutrons, neutron scattering, and solid state diffusion, which is essential for the proper use of quasielastic neutron scattering. This general part should be useful for non-experts in the field of neutron scattering and diffusion as well. The second part of the book addresses the experts in this vivid field of research. It summarizes the scientific applications of quasielastic neutron scattering to special solid state materials systems, as for example to hydrogen in metals or to diffusion in solid state ionic conductors.

This text examines in detail mathematical and physical modeling, computational methods and systems for obtaining and analyzing biological structures, using pioneering research cases as examples. As such, it emphasizes programming and problem-solving skills. It provides information on structure bioinformatics at various levels, with individual chapters covering introductory to advanced aspects, from fundamental methods and guidelines on acquiring and analyzing genomics and proteomics sequences, the structures of protein, DNA and RNA, to the basics of physical simulations and methods for conformation searches. This book will be of immense value to researchers and students in the fields of bioinformatics, computational biology and chemistry. Dr. Dongqing Wei is a Professor at the Department of Bioinformatics and Biostatistics, College of Life Science and Biotechnology, Shanghai Jiaotong University, Shanghai, China. His research interest is in the general area of structural bioinformatics.

In this timely volume, scientists examine examine the physical, structural, and analytical chemistry of fuel combustion. Their contributions also address the issue of combustion efficiency and how air quality can be protected or improved. Supported by numerous illustrations, this volume be appreciated by researchers and students working in various areas of chemistry.

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.

Principles of Coordination Polymerisation, is one of the first books to offer a unified and almost complete view of coordination polymerisation. It focuses on the polymerisation of monomers, belonging to all the important classes of hydrocarbons and non-hydrocarbon monomers, in the presence of various kinds of coordination catalysts.

Taking a user-friendly approach the book examines how the catalyst is involved in each step of the monomer coordination polymerisation process and presents:

• the basic mechanisms which occur during the coordination polymerisation process
• coordination polymerisation of unsaturated hydrocarbon monomers, such as olefins
• problems connected with coordination polymerisation of non-hydrocarbon monomers, such as heterocyclic and heterounsaturated monomers
• the role of co-polymerisation in the plastics and rubber industries
• useful problem exercises at the end of each chapter

Salen Metal Complexes as Catalysts for the Synthesis of Polycarbonates from Cyclic Ethers and Carbon Dioxide, by Donald J. Darensbourg.- Material Properties of Poly(Propylene Carbonates), by Gerrit. A. Luinstra and Endres Borchardt.- Poly(3-Hydroxybutyrate) from Carbon Monoxide, by Robert Reichardt and Bernhard Rieger. - Ecoflex(r) and Ecovio(r): Biodegradable, Performance-Enabling Plastics, by K. O. Siegenthaler, A. Kunkel, G. Skupin and M. Yamamoto.- Biodegradability of Poly(Vinyl Acetate) and Related Polymers, by Manfred Amann and Oliver Minge.- Recent Developments in Ring-Opening Polymerization of Lactones, by P. Lecomte and C. Jerome.- Recent Developments in Metal-Catalyzed Ring-Opening Polymerization of Lactides and Glycolides: Preparation of Polylactides, Polyglycolide, and Poly(lactide-co-glycolide), by Saikat Dutta, Wen-Chou Hung, Bor-Hunn Huang and Chu-Chieh Lin.- Bionolle (Polybutylenesuccinate), by Yasushi Ichikawa, Tatsuya Mizukoshi.- Polyurethanes from Renewable Resources, by David A. Babb.-"

The breadth of scientific and technological interests in the general topic of photochemistry is truly enormous and includes, for example, such diverse areas as microelectronics, atmospheric chemistry, organic synthesis, non-conventional photoimaging, photosynthesis, solar energy conversion, polymer technologies, and spectroscopy. This Specialist Periodical Report on Photochemistry aims to provide an annual review of photo-induced processes that have relevance to the above wide-ranging academic and commercial disciplines, and interests in chemistry, physics, biology and technology. In order to provide easy access to this vast and varied literature, each volume of Photochemistry comprises sections concerned with photophysical processes in condensed phases, organic aspects which are sub-divided by chromophore type, polymer photochemistry, and photochemical aspects of solar energy conversion. Volume 34 covers literature published from July 2001 to June 2002. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading authorities in the relevant subject areas, the series creates a unique service for the active research chemist, with regular, in-depth accounts of progress in particular fields of chemistry. Subject coverage within different volumes of a given title is similar and publication is on an annual or biennial basis.

"Molecular Sieves - Science and Technology" covers, in a comprehensive manner, the science and technology of zeolites and all related microporous and mesoporous materials. Authored by renowned experts, the contributions to this handbook-like series are grouped together topically in such a way that each volume deals with a specific sub-field.

Volume 7 is treating fundamentals and analyses of adsorption and diffusion in zeolites including single-file diffusion, i.e. phenomena of basic importance, especially with respect to separation processes and catalysis. Various methods of measuring adsorption and diffusion are described and discussed, i.e. techniques such as chromatographic, gravimetric and barometric uptake and desorption, nuclear magnetic resonance, infrared spectroscopy, interference microscopy, neutron scattering, frequency response as well as proton profiling.

This comprehensive book covers flexible fiber-shaped devices in the area of energy conversion and storage. The first part of the book introduces recently developed materials, particularly, various nanomaterials and composite materials based on nanostructured carbon such as carbon nanotubes and graphene, metals and polymers for the construction of fiber electrodes. The second part of the book focuses on two typical twisted and coaxial architectures of fiber-shaped devices for energy conversion and storage. The emphasis is placed on dye-sensitized solar cells, polymer solar cells, lithium-ion batteries, electrochemical capacitors and integrated devices. The future development and challenges of these novel and promising fiber-shaped devices are summarized in the final part. This book is the first to introduce fiber-shaped electronic devices, which offer many fascinating advantages compared with the conventional planar structure. It is particularly designed to review the state-of-art developments in fiber-shaped devices for energy conversion and storage. The book will provide a valuable resource for researchers and students working in a wide variety of fields such as advanced materials, new energy, electrochemistry, applied physics, nanoscience and nanotechnology, and polymer science and engineering. Huisheng Peng, PhD, is a Professor and Associate Chair of the Department of Macromolecular Science and PI of the Laboratory of Advanced Materials, Fudan University, Shanghai, China.

Senior scientists from neighboring and other NATO countries joined their efforts to help this region to get to know their problems, discussed their solutions and how they can be helped out. Distinguished experts described how they had succeeded in developing the solutions to such problem in their countries.

This volume of Modern Aspects covers a wide spread of topics presented in an authoritative, informative and instructive manner by some internationally renowned specialists. Professors Politzer and Dr. Murray provide a comprehensive description of the various theoretical treatments of solute-solvent interactions, including ion-solvent interactions. Both continuum and discrete molecular models for the solvent molecules are discussed, including Monte Carlo and molecular dynamics simulations. The advantages and drawbacks of the resulting models and computational approaches are discussed and the impressive progress made in predicting the properties of molecular and ionic solutions is surveyed. The fundamental and applied electrochemistry of the silicon/electrolyte interface is presented in an authoritative review by Dr. Gregory Zhang, with emphasis in the preparation of porous silicon, a material of significant technological interest, via anodic dissolution of monocrystalline Si. The chapter shows eloquently how fundamental electrokinetic principles can be utilized to obtain the desired product morphology. Markov chains theory provides a powerful tool for modeling several important processes in electrochemistry and electrochemical engineering, including electrode kinetics, anodic deposit formation and deposit dissolution processes, electrolyzer and electrochemical reactors performance and even reliability of warning devices and repair of failed cells. The way this can be done using the elegant Markov chains theory is described in lucid manner by Professor Thomas Fahidy in a concise chapter which gives to the reader only the absolutely necessary mathematics and is rich in practical examples.

This multi-authored book provides a comprehensive overview of the latest developments in porous CO2 capture materials, including ionic liquid derived carbonaceous adsorbents, porous carbons, metal-organic frameworks, porous aromatic frameworks, micro porous organic polymers. It also reviews the sorption techniques such as cyclic uptake and desorption reactions and membrane separations. In each category, the design and fabrication, the comprehensive characterization, the evaluation of CO2 sorption/separation and the sorption/degradation mechanism are highlighted. In addition, the advantages and remaining challenges as well as future perspectives for each porous material are covered.

This book is aimed at scientists and graduate students in such fields as separation, carbon, polymer, chemistry, material science and technology, who will use and appreciate this information source in their research. Other specialists may consult specific chapters to find the latest, authoritative reviews.

Dr. An-Hui Lu is a Professor at the State Key Laboratory of Fine Chemicals, School of Chemical Engineering, Faculty of Chemical, Environmental and Biological Science and Technology, Dalian University of Technology, China.

Dr. Sheng Dai is a Corporate Fellow and Group Leader in the Chemical Sciences Division at Oak Ridge National Laboratory (ORNL) and a Professor of Chemistry at the University of Tennessee, USA."

In this book, recent progress in batteries is firstly reviewed by researchers in three leading Japanese battery companies, SONY, Matsushita and Sanyo, and then the future problems in battery development are stated. Then, recent development of solid state ionics for batteries, including lithium ion battery, metal-hydride battery, and fuel cells, are reviewed. A battery comprises essentially three components: positive electrode, negative electrode, and electrolyte. Each component is discussed for the construction of all-solid-state Batteries. Theoretical understanding of properties of battery materials by using molecular orbital calculations is also introduced.

Handbook of Thermal Analysis and Calorimetry, Volume 1: Principles and Practice describes the basic background information common to thermal analysis and calorimetry in general. Thermodynamic and kinetic principles are discussed along with the instrumentation and methodology associated with thermoanalytical and calorimetric techniques. The purpose is to collect the discussion of these general principles and minimize redundancies in the subsequent volumes that are concerned with the applications of these principles and methods. More unique methods, which pertain to specific processes or materials, are covered in later volumes.