Polyolefin is a major industry that is important for our economy and impacts every aspect of our lives. The discovery of new transition metal-based catalysts is one of the driving forces for the further advancement of this field. Whereas the classical heterogeneous Ziegler-Natta catalysts and homogeneous early transition metal metallocene catalysts remain the workhorses of the polyolefin industry, in roughly the last decade, tremendous progress has been made in developing non-metallocene-based olefin polymerization catalysts. Particularly, the discovery of late transition metal-based olefin polymerization catalysts heralds a new era for this field. These late transition metal complexes not only exhibit high activities rivaling their early metal counterparts, but more importantly they offer unique properties for polymer architectural control and copolymerization with polar olefins. In this book, the most recent major breakthroughs in the development of new olefin polymerization catalysts, including early metal metallocene and non-metallocene complexes and late transition metal complexes, are discussed by leading experts. The authors highlight the most important discoveries in catalysts and their applications in designing new polyolefin-based functional materials.

The design of efficient syntheses of medicinal agents is one of the prime goals of the process chemist in the pharmaceutical industry. The expanding list of metal-mediated reactions has had a major impact on this endeavor over the last two decades. This volume will highlight some of the areas of organometallic chemistry that have played a particularly important role in development. The chapters are written by chemists who work in the process groups of major pharmaceutical companies and fine chemical manufacturers. Having demonstrated the power of organometallics in their processes the authors herein expand upon their experiences with examples from the literature as reported by process groups within the industry. The chapters are organized either by the application of a particular metal or reaction class. Removal of the residual metal(s) from the isolated active pharmaceutical ingredient (API) is key to the release of the material for human consumption, and hence, is reviewed here as well. This volume of Topics in Organometallic Chemistry is presented to offer a representative cross section of organometallic applications in the pharmaceutical industry as well as to give an appreciation for the creativity possible in process chemistry.

It was only in the early 1990s that carbenes with the carbene carbon being incorporated in a nitrogen containing heterocycle (N-heterocyclic carbenes or NHCs) were found to be stable enough to be isolated. Since the first report on the application of NHCs as ligands in transition metal catalysis in 1995, NHC have found numerous applications and have been established as a versatile and indispensable class of ligands. For many reactions like metathesis or cross-coupling reactions NHCs have often become the ligands of choice, allowing otherwise difficult transformations. In this book leading experts have surveyed major areas of application of NHC metal complexes in catalysis. The authors have placed a special focus on nickel- and palladium-catalyzed reactions, on applications in metathesis reactions, on oxidation reactions and on the use of chiral NHC-based catalysts. This compilation is rounded out by an introductory chapter and a chapter dealing with synthetic routes to NHC metal complexes. The use of NHC as ligands in catalysis has reached a certain level of maturity and this book allows the reader to get a balanced view of this increasingly important ligand class.

This book includes 49 chapters presented as plenary, invited lectures and posters at the conference. Six plenary lectures have published in an issue of Pure and Applied Chemistry, Vol. 79, No. 12, 2007; the titles of these presentations are given as an Annex at the end of the book. I thank all contrib utors for the preparation of their presentations. It is sad to report that Professor Hitoshi Ohtaki, one of the founders of the Eurasia conferences and contributors passed away on November 5, 2006. Professor Ohtaki enthusiastically promoted international cooperation and took it upon himself to p- licize Japanese science to the wider world. His contribution in this book will serve as a memorable contribution to that goal. He will be missed by all of us. This book is dedicated to his memory. Professor Dr . Bilge S, ener Editor Memorial Tribute to Professor Dr. Hitoshi Ohtaki Curriculum Vitae of Hitoshi Ohtaki Date of Birth September 16, 1932 Place of Birth T ok yo, Japan Date of Decease November 5, 2006 (at the age of 74) Addr ess 3-9-406 Namiki-2-chome, Kanazawa-ku, Yokohama, Japan Institution Chair Professor of The Research Organization of Science and Engineering, Ritsumeikan University Guest Professor of Yokohama City University Education Bachelor of Science, Nagoya University, 1955 Master of Science, Nagoya University, 1957 Doctor of Science, Nagoya University, 1961 ix x Memorial Tribute to Professor Dr."

"Multi-scale Quantum Models for Biocatalysis" explores various molecular modelling techniques and their applications in providing an understanding of the detailed mechanisms at play during biocatalysis in enzyme and ribozyme systems. These areas are reviewed by an international team of experts in theoretical, computational chemistry, and biophysics.

This book presents detailed reviews concerning the development of various techniques, including ab initio molecular dynamics, density functional theory, combined QM/MM methods, solvation models, force field methods, and free-energy estimation techniques, as well as successful applications of multi-scale methods in the biocatalysis systems including several protein enzymes and ribozymes.

This book is an excellent source of information for research professionals involved in computational chemistry and physics, material science, nanotechnology, rational drug design and molecular biology and for students exposed to these research areas.

"Metal Catalysed Reactions in Ionic Liquids" is the first non-edited book on the subject of metal catalyzed reactions in ionic liquids to cover the literature from its origins until early 2005.
Following a general introduction to the field of biphasic/multiphasic catalysis, the book moves on to describe the synthesis, the functionalisation, and fundamental properties of ionic liquids relevant to catalysis. It then analyses the catalysed reactions according to their type, encompassing hydrogenation, hydroformylation, oxidation, C-C coupling reactions, metathesis, dimerisation, polymerisation and more. Trends, generalisations, advantages and disadvantages of ionic liquids for specific reaction types are also examined as well as specific processes such as supported ionic liquid phase catalysis, continuous processes using CO2 extraction and nanoparticle catalysis.
"Metal Catalysed Reactions in Ionic Liquids" is of interest to those working in catalysis/green chemistry, in particular to advanced level undergraduate and graduate students and researchers in bi- or multiphasic catalysis using ionic liquids.
"

This book covers a significant number of R&D projects, performed mostly after 2000, devoted to the understanding and prevention of performance degradation processes in polymer electrolyte fuel cells (PEFCs). The extent and severity of performance degradation processes in PEFCs were recognized rather gradually. Indeed, the recognition overlapped with a significant number of industrial dem- strations of fuel cell powered vehicles, which would suggest a degree of technology maturity beyond the resaolution of fundamental failure mechanisms. An intriguing question, therefore, is why has there been this apparent delay in addressing fun- mental performance stability requirements. The apparent answer is that testing of the power system under fully realistic operation conditions was one prerequisite for revealing the nature and extent of some key modes of PEFC stack failure. Such modes of failure were not exposed to a similar degree, or not at all, in earlier tests of PEFC stacks which were not performed under fully relevant conditions, parti- larly such tests which did not include multiple on-off and/or high power-low power cycles typical for transportation and mobile power applications of PEFCs. Long-term testing of PEFCs reported in the early 1990s by both Los Alamos National Laboratory and Ballard Power was performed under conditions of c- stant cell voltage, typically near the maximum power point of the PEFC.

This book was written with the purpose of providing a sound basis for the design of enzymatic reactions based on kinetic principles, but also to give an updated vision of the potentials and limitations of biocatalysis, especially with respect to recent app- cations in processes of organic synthesis. The ?rst ?ve chapters are structured in the form of a textbook, going from the basic principles of enzyme structure and fu- tion to reactor design for homogeneous systems with soluble enzymes and hete- geneous systems with immobilized enzymes. The last chapter of the book is divided into six sections that represent illustrative case studies of biocatalytic processes of industrial relevance or potential, written by experts in the respective ?elds. We sincerely hope that this book will represent an element in the toolbox of gr- uate students in applied biology and chemical and biochemical engineering and also of undergraduate students with formal training in organic chemistry, biochemistry, thermodynamics and chemical reaction kinetics. Beyond that, the book pretends also to illustrate the potential of biocatalytic processes with case studies in the ?eld of organic synthesis, which we hope will be of interest for the academia and prof- sionals involved in R&D&I. If some of our young readers are encouraged to engage or persevere in their work in biocatalysis this will certainly be our more precious reward.

This volume contains the lectures presented at the Advanced Study Institute on "Chemistry and Chemical Engineering of Catalytic Solid Fuel Conversion for the Production of aean Synthetic Fuels" which was held at Ak;ay, Edremit, Tiirkiye, between July 21 and August 3, 1991. The book includes 23 chapters originally written for the meeting by distinguished scientists an technologists in the field. l would like to acknowledge the contribution of each of the authors in the book. Their efforts have shed light on our understanding in coal science research and better utilization of coal. Three main subjects: structure and reactivity of coal; cleaning of coal and its products, and factors affecting environmental balance of energy usage and solutions for future, were discussed in the Institute and these are presented under six groups in the book. I hope that of great use to research workers from academic and industrial background. the book will be Many people contributed to the success of the Institute on which this volume was based. I take this occasion to thank my colleagues who lectured in the Institute, both for their efforts during the two weeks and their expertly prepared lecture notes that reached to me in time. The Institute was generously sponsored by the Scientific and Environmental Affairs Dh.ision of the NATO and their contribution is deeply acknowledged."

Light alkanes tend to be resistant to many forms of activation. The horizontal approach of the present book covers homogeneous, heterogeneous and biological catalysis, thus allowing readers to gain an awareness of progress and ideas in research areas different from their own. The book contains both general chapters, giving an overview of the subject, and specialised contributions that deal with the details and state of the art. A specialist report is also included which gives a critical insight into current progress and discusses future prospects and major challenges. Audience: Newcomers and senior researchers in the field of alkane activation. The mixed theoretical and practical approach will be of interest to researchers and industrialists alike.

Hydrogen peroxide is a chemical that is becoming increasingly fashionable as an oxidant, both in industry and in academia and whose production is expected to increase significantly in the next few years. This growth in interest is largely due to environmental considerations related to the clean nature of hydrogen peroxide as an oxidant, its by-product being only water. To date this chemical has largely been employed as a non-selective oxidant in operations like the bleaching of paper, cellulose and textiles, or in the formulation of detergents, and only to a minimal extent in the manufacture of organic chemicals. This book has been organized to cover the different aspects of the chemistry of hydrogen peroxide. The various chapters into which the book is divided have been written critically by the authors with the general aim of stimulating new ideas and emphasizing those aspects that are likely to lead to new developments in organic synthesis in the coming future.

This volume continues the tradition formed in Nanotechnology in Catalysis 1 and 2. As with those books, this one is based upon an ACS symposium. Some of the most illustrious names in heterogeneous catalysis are among the contributors. The book covers: Design, synthesis, and control of catalysts at nanoscale; understanding of catalytic reaction at nanometer scale; characterization of nanomaterials as catalysts; nanoparticle metal or metal oxides catalysts; nanomaterials as catalyst supports; new catalytic applications of nanomaterials.

Heterogeneous catalysis has been essential to the development of efficient chemical processes for more than a century, and this field has been traditionally part of the solid state chemistry and surface science communities. The design of better catalysts has raised the following questions: "what is the structure of the active sites?" and "how to control their nature?" The necessary need to develop more sustainable chemical processes and the success of homogeneous catalysis relying on molecular organometallic chemistry has led the community of molecular chemists to investigate the preparation of single-site heterogeneous catalysts. The authors discuss the molecular design, the preparation, the characterisation and the catalytic applications of well-defined oxides and metal particles. The readers will acquire a molecular understanding of heterogeneous catalysis, which will help them develop a critical view and which will attract them to study this fascinating field.

The use of phosphine derivatives has historically induced the tremendous development of catalysis (both non-asymmetric and asymmetric). Although the chemistry of amines is more documented, the use of nitrogen-containing ligands only appeared recently. Nevertheless, during the last ten years, the results describing chiral diamine preparations and their uses in asymmetric catalysis and synthesis are increasing faster than their phosphorus counterparts. The reader will find in this volume the most recent methods for the synthesis of chiral diamines as well as their applications in asymmetric catalysis of CC bond formation. Particular attention will be given to spartein and derivatives of such diamines. Recently, the particular properties and the chemistry of amines allowed to obtain catalysts easy to separate and recycle and new types of ligands such as diaminocarbenes, ureas and thioureas. Finally, the complexing properties of some diamines allowed the formation of complexes with chirality "at the metal " which is of major theoretical interest and presents numerous potential applications.

3.1.1 ?-Conjugated Materials ?-conjugated polymers (CPs) and oligomers are materials with an extended ?-system along the backbone. The materials possess many remarkable prop- ties, including high charge carrier mobilities, electrical conductivities (doped), electrochromism, and electroluminescence [1]. These properties have been taken advantage of in exploration of potential applications including in ch- ical sensors, light-emitting devices, and ?eld-effect transistors. Many efforts have been devoted to synthesizing new conjugated polymers and oligomers in an effort to increase their processibility, optimize the desirable properties, and explore new properties. In Fig. 3.1 are shown examples of some of the CPs that have been prepared and studied. Coupling ?-conjugated materials to metal complexes gives hybrid mate- als in which the properties of the metal complex may be coupled to those of the conjugated backbone [2]. For example, these materials could be used in energy-harvesting devices such as solar cells or polymer-based light-emitting devices,wherehighchargecarrier mobilities of theconjugatedmaterialmay be combined with either the light-absorbing or emitting metal groups, giving improved device performance [3, 4]. In addition to an electronic role, metal complexes may also be used to geometrically orient ?-conjugated materials in speci?c three-dimensional arrangments in the solid state. Careful conside- tion of theelectronicinteractionsand excitedstatesisnecessary for thedesign of functional materials of this type.

Directed metalation is recognized as one of the most useful methodologies for the regio- and stereoselective generation of organometallic species, the generation of which necessarily leads to the selective formation of organic products. Cyclometalation using Li, Mn, and Pd, and directed hydrometalation and carbometalation using Al and Zn, have been utilized for regio- and/or stereoselective synthesis for decades. Recently, a new chelation-assisted methodology has been developed not only for controlling regio- and stereoselectivity of reactions, but also for accelerating reactions. In particular, chelation-methodology has been utilized as a new activation method, in which a carbon-metal bond is generated directly from a C-H bond; a reaction rarely achieved using conventional methods. A wide variety of catalytic functionalization reactions of C-H bonds by the utilization of a chelation, have been developed recently and are comprehensively discussed in this book by leading experts. In addition, new approaches to directed hydrometalation and directed carbometalation as a key step are also discussed. A unique stereo- and regioselective hydroformylation has been developed through the utilization of directed hydrometalation. The regioselective Mizoroki-Heck reaction is another example in which directed carbometalation can be used to achieve a high regioselectivity. These examples emphasize how these innovative methodologies are contributing to different fields of chemistry.

Photosensitization and photocatalysis refer to processes by which permanent chemical transformations are induced on substrates (organic/inorganic) by radiation to which the substrates themselves are transparent. Such transformations can be highly specific, very efficient, and occur under mild conditions. Herein lies the power of photochemical methods for possible applications in the field of conversion and storage of solar energy. This book provides a recent survey of the progress in this important area in catalysis, with an emphasis on inorganic complexes and organometallic compounds as the key light aborbers. The book is organized in three parts: fundamentals, followed by applications. Discussions cover a wide variety of photosensitized or photocatalyzed reactions: decomposition of water, reduction of CO2 and CO; spectral sensitization in photoelectrochemical cells; transformations (oxidation, reduction, isomerization, hydrogenation, dehydrogenation, carbonylation, etc.) of organics such as alkanes, alkenes, alcohols, etc. In view of the variety of systems (sensitizers, substrates) and the topics covered, the volume is unique in the field of photochemistry and will appeal to academic and industrial researchers in various subdisciplines of chemistry, material science and catalysis.

Hydrotreating catalysis with transition metal sulphides is one of the most important areas of industrial heterogeneous catalysis. The present book deals with the chemical and catalytic aspects of transition metal sulphides, focusing on their use in hydrotreating catalysis. The book?'s 12 chapters present reviews of solid-state, coordination and organometallic chemistry, surface science and spectroscopic studies, quantum chemical calculations, catalytic studies with model and real catalysts, as well as refinery processes. A presentation of state-of-the-art background to pertinent work in the field. Can be used as an introduction to the chemical and catalytic properties of transition metal sulphides as well as an advanced level reference.

For fifty years, Hydrosilylation has been one of the most fundamental and elegant methods for the laboratory and industrial synthesis of organosilicon and silicon related compounds. Despite the intensive research and continued interest generated by organosilicon compounds, no comprehensive book incorporating its various aspects has been published this century.

The aim of this book is to comprehensively review the advances of hydrosilylation processes since 1990. The survey of the literature published over the last two decades enables the authors to discuss the most recent aspects of hydrosilylation advances (catalytic and synthetic) and to elucidate the reaction mechanism for the given catalyst used and the reaction utilization. New catalytic pathways under optimum conditions necessary for efficient synthesis of organosilicon compounds are presented. This monograph shows the extensive development in the application of hydrosilylation in organic and asymmetric syntheses and in polymer and material science.

Eighty per cent of all compounds produced in the chemical and pharmaceutical industries require at least one essential catalytic step during their synthesis. At the same time the use of hydrocarbons as a feed-stock for commodity and fine chemicals typically requires an oxidation step, which is usually mediated by a transition metal compound. Consequently oxidation catalysis is a major research field in chemistry, both in academia and in industry. In many such processes, species with metal-carbon bonds are formed as key intermediates, and these processes represent the primary focus of this volume. An important aspect covered by some of the expert contributors is the use of organic ligands - and thus organometallic complex metal fragments - to achieve efficient oxidation catalysis. It has not been self-evident that organometallic complexes can survive the conditions necessary for polar oxygen-transfer reactions, but research over the last decade concerning oxo and peroxo complexes functionalized by organic ligands has clearly shown that relatively non-polar M-C bonds can be quite stable in the presence of oxidants and protic media, and that they may even be essential for the favourable activity and life-time of a catalyst. Also considered in this context is the oxidation chemistry of basic organometallic species in the gas phase, as this may reveal fundamental characteristics inherent to oxidation catalysts.

This book highlights cyclization via carbopalladation and acylpalladation and Heck-pericyclic sequences. They discuss p-allyl palladium-based cascade reactions, Michael-type additions as an entry to transition-metal-promoted cyclizative transformations, and sequential or consecutive palladium-catalyzed processes, and show Pauson-Khand cascades, metal-catalyzed cyclizations of acyclic precursors, as well as cascade and sequential ruthenium-catalyzed transformations. This is a comprehensive overview of an exciting and highly dynamic, and innovative methodological concept.

"Heterocycles from Transition Metal Catalysis: Formation and Functionalization" provides a concise summary of the prominent role of late transition metal (palladium, nickel, copper) catalysed processes in the synthesis and functionalization of heterocyclic systems. It gives an introduction to catalytic transformations, an overview of the most important reaction types, and presents synthetically useful catalytic processes classified by the target system and the type of transformation.

The book provides a representative selection of transition metal catalysed reactions transformations that are relevant in heterocyclic chemistry. In this way, the authors present a useful resource for members of the academic community looking for a textbook as well as industrial chemists in search of a reference book. This book will be an invaluable resource for synthetic chemists, medicinal chemists, and those more generally interested in applied catalysis.

Chemical Kinetics and Reaction Dynamics brings together the major facts and theories relating to the rates with which chemical reactions occur from both the macroscopic and microscopic point of view. This book helps the reader achieve a thorough understanding of the principles of chemical kinetics and includes:

• Detailed stereochemical discussions of reaction steps
• Classical theory based calculations of state-to-state rate constants
• A collection of matters on kinetics of various special reactions such as micellar catalysis, phase transfer catalysis, inhibition processes, oscillatory reactions, solid-state reactions, and polymerization reactions at a single source.

The growth of the chemical industry greatly depends on the application of chemical kinetics, catalysts and catalytic processes. This volume is therefore an invaluable resource for all academics, industrial researchers and students interested in kinetics, molecular reaction dynamics, and the mechanisms of chemical reactions.

After the great success now in its 2nd Edition:This textbook covers all aspects of catalysis, including computational methods, industrial applications and green chemistry.

Control over macromolecular architecture and resulting material properties has been a central goal of polymer chemistry. There has been much interest in developing new synthetic routes to prepare smart materials with novel compositions and topologies for various applications. The considerable progress in the metal mediated macromolecular engineering over the past decade has had a major impact on the development of well-defined macromolecular architectures and the synthesis of smart materials. Particularly, remarkable strong developments have been observed for the synthesis of smart materials via four metal mediated macromolecular engineering techniques; Anionic, ROMP, ATRP and Click Chemistry. These materials have found uses in advanced microelectronics, technical and biomedical applications as well as in chemical sensors applications.

This book is comprised of 27 chapters written by leading scientists from NATO and Partner Countries who have greatly contributed in the area of Anionic, ROMP, ATRP and Click Chemistry. It highlights the fundamental aspects and recent developments of these four powerful techniques and evaluate their potential in the syntheses of smart materials from complex structures (grafts, brushes, dendrimers, etc.) to nanostructures (self-assembly, nano-size, etc) for a wide range of applications.

The book reports on the synthesis of a wide range of well-defined complex polymeric systems such as thermoresponsive smart polymers, star copolymers, biocompatible polymers, amphipilic smart nano structured, conducting polymers, self assembled polymers, and hyperbranced polymers.