Functional materials research is one of the high priority strategic areas of - st velopmentinscienceandtechnologyinthe21 century.Amongstthevarietyof functions,theinteractionofmatterwithlighttogeneratelight-drivenorpho- responsive properties has always been one of the most appealing and attr- tive areas. Recent advances in the exploitation of transition metal complexes in bringing about photo-induced functions have attracted growing attention, particularly in areas related to materials, energy, and biomedical research. Selected examples include the development of molecular triplet emitters for organic light-emitting devices (OLEDs), optical and photo-switches, pho- chemical energy storage, dye-sensitized solar cells, photochemical molecular devices(PMD)andmachines,opticalandluminescenceprobesandchemos- sors,luminescentlabelsandtagsforbiomolecules,andluminescencesignaling and imaging. This volume serves to provide the readers with some fundamentals of - minescent transition metal complexes and the recent exciting developments of a selected variety of functions and potential applications that transition metal complexes can offer for the betterment of the society in areas related to materials, energy, and biomedical research. The ?rst chapter of this volume by Balch discussed the current progress in two-coordinate luminescent gold(I) complexes. This class of complexes is well-known to show weak metal***metal interactions that lead to the iso- tionofnovel architecturesand polymorphism fromrelatively simple building blocksandtheappearanceofuniqueelectronicabsorptionandemissionsp- troscopicfeatures.Theeffectoftheenvironment,suchassolventsandcounter ions, on the luminescence behavior of a number of two-coordinate gold(I) complexes was discussed.

Transition metal catalysis belongs to the most important chemical research areas because a ubiquitous number of chemical reactions are catalyzed by transition metal compounds. Many efforts are being made by industry and academia to find new and more efficient catalysts for chemical processes. Transition metals play a prominent role in catalytic research because they have been proven to show an enormous diversity in lowering the activation barrier for chemical reactions. For many years, the search for new catalysts was carried out by trial and error, which was costly and time consuming. The understanding of the mechanism of the catalytic process is often not very advanced because it is difficult to study the elementary steps of the catalysis with experimental techniques. The development of modern quantum chemical methods for calculating possible intermediates and transition states was a breakthrough in gaining an understanding of the reaction pathways of transition metal catalyzed reactions. This volume, organized into eight chapters written by leading scientists in the field, illustrates the progress made during the last decade. The reader will obtain a deep insight into the present state of quantum chemical research in transition metal catalysis.

Carbonylation reactions are of major importance in both organic and industrial chemistry. Due to the availability, price and reactivity pattern, carbon monoxide is becoming a more and more important building block for fine and bulk chemicals. The major reaction types of carbon monoxide are comprehensively discussed by leading experts from academia and industry. The authors highlight important carbonylation reactions such as hydroformylation, alkoxy-carbonylations, co/olefin-copolymerization, Pauson-Khand reactions and others. They illustrate applications in organic synthesis and give industrial examples.
This volume is designed to provide graduate students and researchers with essential information on the use of carbon monoxide in organic synthesis. Therefore, the reader will get a balanced view of this developing and complex subject.

Chemistry of Powder Production focuses on the solid-state chemistry of powder materials and relates this to the structure, properties and preparation, and characterization techniques for these important industrial products. Additionally, the properties of the particles are discussed in relation to their surface structure and characteristics. This book describes the fundamentals of statistical methods for measuring the characteristics of particles. New advanced materials being developed in powder technology manufacturing techniques are also emphasised, including powdered materials for advanced ceramics as well as magnetic and pigment materials.

Silicon Based Polymers presents highlights in advanced research and technological innovations using macromolecular organosilicon compounds and systems, as presented in the 2007 ISPO congress. Silicon-containing materials and polymers are used all over the world and in a variety of industries, domestic products and high technology applications.

Among them, silicones are certainly the most well-known, however there are still new properties discovered and preparative processes developed all the time, therefore adding to their potential. Less known, but in preparation for the future, are other silicon containing-polymers which are now close to maturity and in fact some are already available like polysilsesquioxanes and polysilanes.

All these silicon based materials can adopt very different structures like chains, dendrimers, hyperbranched and networks, physical and chemical gels. The result is a vast array of materials with applications in various areas such as optics, electronics, ionic electrolytes, liquid crystals, biomaterials, ceramics and concrete, paints and coatings ... all needed to face the environmental, energetical and technological issues of today. Some industrial aspects of the applications of these materials will also be presented.

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.

In every generation the achievements in science have served mankind. The progress accomplished by one generation stimulates the next generation to even greater achievements, which may take the form of increasing, crystallizing, or detailing existing theo- ries. Other forms, generally resulting from persistence and enlight- ened fortune, open new areas of investigation previously unimagined and have an impact that may be felt for many years. An example of this latter form of achievement was the prepara- tion and elucidation of the structures of dicyclopentadienyliron (ferrocene, reported in 1951) dibenzenechromium iodide, triphenyl- chromium tristetrahydrofuranate, and numerous olefin-metal -com- plexes which provided an introduction to new types of chemical bonds- the sigma carbon-transition metal bond and the metal -complex bond. Initial progress in the field of organotransition-metal chemis- try followed the lines of interest generated separately by organic and inorganic chemistry. However, it is becoming increasingly clear that organotransit10n-metal chemistry is not only bridging these two fields, but also crosslinking many other fields of science.

Biological nitrogen fixation provides more than 50% of the total annual input of the essential element nitrogen to world agriculture. Thus, it is of immense agronomic importance and critical to food supplies, particularly in developing countries.

This book, with chapters authored by internationally renowned experts, provides a comprehensive and detailed account of the fascinating history of the process - including the surprising discoveries of molybdenum-independent nitrogenases and superoxide-dependent nitrogenase; a review of Man's attempts to emulate the biological process - most successfully with the commercially dominant Haber-Bosch process; and the current state of the understanding art with respect to the enzymes - called nitrogenases - responsible for biological nitrogen fixation.

The initial chapters use a historical approach to the biological and industrial processes, followed by an overview of assay methodologies. The next set of chapters focuses on the classical enzyme, the molybdenum nitrogenase, and details its biosynthesis, structure, composition, and mechanism of action as well as detailing both how variants of its two component proteins are constructed by recombinant DNA technology and how computational techniques are being applied. The sophisticated chemical modelling of the metal-containing clusters in the enzyme is reviewed next, followed by a description of the two molybdenum-independent nitrogenases - first, the vanadium-containing enzyme and then the iron-only nitrogenase - together with some thoughts as to why they exist Then follows an up-to-date treatment of the clearly "non-classical" properties of the superoxide-dependent nitrogenase, which more closely resembles molybdenum-containing hydroxylases and related enzymes, like nitrate reductase, that it does the other nitrogenases. Each chapter contains an extensive list of references.

This book is the self-contained first volume of a comprehensive seven-volume series. No other available work provides the up-to-date and in-depth coverage of this series and this volume. This book is intended to serve as an indispensable reference work for all scientists working in this area, including agriculture and the closely related metals-in-biology area; to assist students to enter this challenging area of research; and to provide science administrators easy access to vital relevant information.

Computational molecular and materials modeling has emerged to deliver solid technological impacts in the chemical, pharmaceutical, and materials industries. It is not the all-predictive science fiction that discouraged early adopters in the 1980s. Rather, it is proving a valuable aid to designing and developing new products and processes. People create, not computers, and these tools give them qualitative relations and quantitative properties that they need to make creative decisions.
With detailed analysis and examples from around the world, Applying Molecular and Materials Modeling describes the science, applications, and infrastructures that have proven successful. Computational quantum chemistry, molecular simulations, informatics, desktop graphics, and high-performance computing all play important roles. At the same time, the best technology requires the right practitioners, the right organizational structures, and - most of all - a clearly understood blend of imagination and realism that propels technological advances. This book is itself a powerful tool to help scientists, engineers, and managers understand and take advantage of these advances.

1. Introduction. There is much interest in the general subject of porous inorganic materials with respect to their use as sorbents or catalysts. Such inorganic solids may be microporous, mesoporous or macroporous according to the sizes of the pores within the solid. Often there is a range of pore sizes within any given solid and so there is special interest in the synthesis, characterisation and application of porous inorganic solids with well defined pores. Pores of diameter larger than 50 nm are generally termed macropores. Those with diameters of less than 2 nm are micropores and pores of intermediate size are called mesopores. Solids, which contain only mesopores, are correctly called mesoporous but very often there is a combination of different types of porosities within one given solid. The synthesis, characterisation and application of microporous solids is much more advanced than is the case with mesoporous substances. Moreover, the synthesis of crystalline mesoporous materials is one clear goal for the future but which has not been attained so far. Consequently, it is of interest to examine the current state of our knowledge of microporous materials and to examine how this may apply to mesoporous materials. Both catalytic and sorption processes could benefit from studies of mesoporous solids because the mesopores could permit diffusion of larger reactants or products than is the case in microporous materials. 2.

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.

Computational Modelling of Homogeneous Catalysis is an extensive collection of recent results on a wide array of catalytic processes. The chapters are, in most cases, authored by the researchers who have performed the calculations. The book illustrates the importance of computational modelling in homogeneous catalysis by providing up-to-date reviews of its application to a variety of reactions of industrial interest, including:

-olefin polymerization;
-hydrogenation;
-alkene/alkyne isomerization;
-hydroformylation;
-hydroboration; hydrosylation;
-dihydroxylation;
-benzannulation;
-epoxidation;
-N-N triple bond activation.

This book facilitates understanding by experimental chemists in the field on what has already been accomplished and what can be expected from calculations in the near future. In addition, the book provides computational chemists with a first-hand knowledge on the state of the art in this exciting field.

While the lanthanides (strictly defined as the 14 elements following lanthanum in the periodic table, but as normally used also include lanthanum itself) have several unique characteristics compared to other elements, their appearance in the history of the development of organometallic chemistry is rather recent. Since the f orbitals are filled gradually from lanthanum ( Xe]4f ) to lutetium ( Xe]4fl4), they are regarded as the f-block elements, which are discriminated from the d-block transition elements. This book was edited as the second volume of "Topics in Organometallic Chemistry," aiming at an overview of recent advances of chemistry and organic synthesis of lanthanides. Since scandium (Sc) and yttrium (Y) (which lie above the lanthanides and have similar characteristics) are also included, this book covers rare earth chemistry. Recently, especially in this decade, the chemistry and organic synthesis of lanthanides have developed rapidly as one of the most exciting areas. An international team of authors has been brought together in order to provide a timely and concise review of current research efforts such as lanthanide catalysis in small molecule organic synthesis especially focused on carbon-carbon bond-forming reactions, chemistry and organic synthesis using low-valent lanthanides such as diiodosamarium, asymmetric catalysis, lant- nide-catalyzed polymer synthesis, and polymer-supported lanthanide catalysts used in organic synthesis. Principles of organolanthanide chemistry are sum- rized in the first chapter. I am sincerely grateful to Drs. R. Anwander, E. C. D- dy, H. Gr6ger, Z. Hou, H. Kagan, G. Molander, J. L. Namy, M. Shibasaki, Y.

In August, 1996, the ACS Division of Polymeric Materials: Science and Engineering hosted a symposium on Interfacial Aspects of Multicomponent Polymer Materials at the Orlando, Florida, American Chemical Society meeting. Over 50 papers and posters were presented. The symposium proper was preceded by a one-day workshop, where the. basics of this relatively new field were developed. This edited book is a direct outcome of the symposium and workshop. Every object in the universe has surfaces and interfaces. A surface is defined as that part of a material in contact with either a gas or a vacuum. An interface is defined as that part of a material in contact with a condensed phase, be it liquid or solid. Surfaces of any substance are different from their interior. The appearance of surface or interfacial tension is one simple manifestation. Polymer blends and composites usually contain very finely divided phases, which are literally full of interfaces. Because interfaces are frequently weak mechanically, they pose special problems in the manufacture of strong, tough plastics, adhesives, elastomers, coatings, and fibers. This book provides a series of papers addressing this issue. Some papers delineate the nature of the interface both chemically and physically. The use of newer instrumental methods and new theories are described. Concepts of interdiffusion and entanglement are developed. Other papers describe state-of-the-art approaches to improving the interface, via graft and block copolymers, direct covalent bonding, hydrogen bonding, and more.

"Polymineral-Metasomatic Crystallogenesis" is dedicated to the foundations of polymineral crystallogenesis in solutions typically occurring in nature. Effects, laws, and mechanisms of a metasomatic crystal replacement, joint crystal growth of different phases, mixed crystal formation, and aggregate re-crystallization as well as oriented overgrowth (epitaxy and quasi-epitaxy) and crystal habit origin are considered experimentally. The behaviour of these processes in nature are discussed in addition to pseudomorphs, poikilitic crystals (and other replacement forms), features of rapakivi structure, fluorite morphology, and many more. The concept is a generalization of the classic theory on crystallogenesis which is complicated by phase interaction in polymineral systems.

"Polymineral-Metasomatic Crystallogenesis" is designed for chemists, geologists, physicists, and postgraduates and advanced undergraduate students of these fields.

Embarking on a new millennium, the book in hands describes the recent developments of organsoselenium chemistry in all facets. Various distinguished scientists have contributed, with their skill and expertise, making this book a valuable source for synthetic oriented organic chemists and for those, who want to get a first insight into the chemistry of selenium.

Most descriptions of polymers start at room temperature and end at the melting point. This textbook starts at very low temperatures and ends at room temperature. At low temperatures, may processes and relaxations are frozen which allows singular processes or separate relaxations to be studied. At room temperatures, or at the main glass transitions, many processes overlap and the properties are determined by relaxations. At low temperatures, there are temperature ranges with negligible influences by glass transitions. They can be used for investigating so-called basic properties which arise from principles of solid state physics. The chain structure of polymers, however, requires stringent modifications for establishing solid state physics of polymers. Several processes which are specific of polymers, occur only at low temperatures. There are also technological aspects for considering polymers at low temperatures. More and more applications of polymeric materials in low temperature technology appear. Some examples are thermal and electrical insulations, support elements for cryogenic devices, low-loss materials for high frequency equipments. It is hoped that, in addition to the scientific part, a data collection in the appendix may help to apply polymers more intensively in low temperature technology. The author greatly appreciates the contributions by his coworkers of the Kernforschungszentrum Karlsruhe in measurement and discussion of many data presented in the textbook and its appendix. Fruitful disccussions with the colleagues Prof. H. Baur, Prof. S. Hunklinger, Prof. D. Munz and Prof. R."

Since the pioneering publications on coordination chemistry by Lehn and Pedersen in the late 1960s, coupled with the more orthodox interest from the transition metal chemists on template reactions (Busch, 1964), the field of supramolecular chemistry has grown at an astonishing rate. The use of transition metals as essential constituents of multi-component assemblies has been especially sharp in recent years, since the metals are prone to quick and reversible redox changes, and there is a wide variety of metal--ligand interactions. Such properties make supramolecular complexes of transition metal ions suitable candidates for exploration as light--energy converters and signal processors. Transition Metals in Supramolecular Chemistry focuses on the following main topics: (1) metal controlled organization of novel molecular assemblies and shapes; (2) design of molecular switches and devices operating through metal centres; (3) supramolecular catalysts that mimic metalloenzymes; (4) metal-containing sensory reagents and supramolecular recognition; and (5) molecular materials that display powerful electronic, optoelectronic and magnetic properties.

This book presents theoretical as well as experimental articles focused on recent new results in high temperature superconductivity. All contributors are high ranking scientists who have done major work to enhance the understanding of this phenomenon. A few articles deal with ferroelectricity and its applications. The book is dedicated to Prof. Dr. K. Alex M ller on his 80th birthday. During his scientific career he made major advances in the understanding of ferroelectricity.

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.

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.

Binary Rare Earth Oxides is the first book in the field of rare earth oxides that provides coverage from the basic science through to recent advances. This book introduces the unique characteristics of the binary rare earth oxides with their chemistry, physics and applications. It provides a comprehensive review of all the characteristics of rare earth oxides, essential for scientists and engineers involved with rare earths, oxides, inorganic materials, ceramics, and structures. The binary rare earth oxides bring us a variety of interesting characteristics. Understanding their fundamental mechanisms builds a bridge between solid-state chemistry and materials science.

The book begins with a brief introduction to binary rare earth oxides, their physical and chemical stabilities, polymorphism, crystal structures and phase transformation and the association with current applications. The book goes on to present the band structure of the oxides using several quantum chemical calculations, which belong to a newly developed area in the binary rare earth oxides. Central to this chapter are the characterizations of electrical, magnetic and optical properties, as well as details of single crystal growth and particle preparation methods that have progressed in recent years. Later chapters concentrate on thermo-chemical properties and trace determination techniques. The final chapter contains a variety of useful applications in various fields such as phosphors, glass abrasives, automotive catalysts, fuel cells, solid electrolytes, sunscreens, iron steels, and biological materials.
This book is an invaluable resource for materials scientists and solid-state physicists and chemists with an interest in rare earth oxides, as well as advanced students and graduates who require an approach to familiarize them with this field. This book provides guidance through a comprehensive review of all the characteristics of binary rare earth oxides.

This Volume is based on the Lectures presented at the Meeting "Chemistry at the Beginning of the Third Millennium," wh ich was held in Pavia, Italy, during the period 7-10 October, 1999. The Meeting involved the participation of scientists from German and ltalian Universities of the 'Coimbra Group'. The 'Coimbra Group', wh ich was founded in 1987, gathers the most ancient and prestigious European Universities, with the aim to promote initiatives in both research and teaching and to provide guidelines for the progress and development of the University system. German and Italian Universities within the Coimbra Group propose every year a theme for scientific discussion, which originates a Meeting to be held in a German or Italian University. The Meeting in Pavia was the fifth of the series and followed those of Bologna (1995), Jena (1996), Siena (1997), Heidelberg (1998). Each Meeting is centred on a topic from either humanistic or natural sciences and consists in aseries of lectures presented by distinguished scientists from the six participanting Universities. For the Pavia Meeting, the Steering Committee chose Chemistry as the topic and gathered researchers with experience in almost all fields of chemistry. In particular, during the Meeting, lectures were presented on many up-to-date subjects of chemistry, including: materials science, superconductors, supramolecular chemistry, bioinorganic chemistry, fullerenes, liquid crystals, photoinduced electron transfer, etc. The different topics were covered by distinguished and renown researchers of the various fields.

The present issue of Structure and Bonding is dedicated to applied group 13 chemistry, particularly for the elements boron and aluminum, and to a lesser degree gallium and indium. Although boron is a trace element (0.01 g kg 1) in the earth's crust, it has been concentrated in a few locations by geochemical processes and is relatively easy to mine as borax. Aluminum, on the other hand, is the most abundant metal in the earth's crust (82 g kg 1) and dispersed widely throughout the globe. Thus, boron and aluminum are readily available and their associated products or compounds are usually inexpensive and thereby easy to commercialize. The chapters were chosen to encompass both applied and fundamental aspects of their subiects. The first chapter 'Borates in Industrial Use' provides a complete, and perhaps, quintessential, coverage of compounds containing boron oxygen bonds. In the chapter Schubert explains the close relationship between the basic properties of the boron compounds and their associated uses. The remaining four chapters focus, to some degree, on aluminum. Since a great deal of literature exists in this area, these chapters are more focused on areas of emerging utility, and contain a great deal of fundamental information. Uhl's contribution in Chapter 2 provides basic synthesis and structural information for aluminum and gallium hydrazides. These types of compounds are being explored as potential molecular precursors to metal nitrides such as the important blue green laser material gallium nitride.

The unique properties and applications of transition metal compounds have long fascinated both physicists and chemists. This volume presents theoretical and experimental studies for a deeper understanding of the electronic and vibronic properties of these compounds. In particular, an introduction into properties of spin sublevels of dd*, dA*, and AA* states is given, and a modern ligand field theory based on the Angular Overlap Model is presented. In experimental case studies it is shown how to characterize different types of electronic transitions using modern methods of laser spectroscopy. Consequences of spin-orbit coupling, zero-field splittings, spin-lattice relaxations, chromophore-matrix interactions, Herzberg-Teller/Franck-Condon activities, and localization/delocalization properties are treated.