The study of crystal structures has had an ever increasing impact on many fields of science such as physics, chemistry, biology, materials science, medicine, pharmacy, metallurgy, mineralogy and geology. Particularly, with the advent of direct methods of structure determination, the data on crystal structures are accumulating at an unbelievable pace and it becomes more and more difficult to oversee this wealth of data. A crude rationalization of the structures of organic compounds and the atom coordinations can be made with the well-known Kekule model, however, no such generally applicable model exists for the structures of inorganiC and particularly intermetallic compounds. There is a need to rationalize the inorganic crystal structures, to find better ways of describing them, of denoting the geometrical relationships between them, of elucidating the electronic factors and of explaining the bonding between the atoms with the aim of not only having a better understanding of the known structures, but also of predicting structural features of new compounds.

Maximum Entropy (ME) techniques have found widespread applicability in the reconstruction of incomplete or noisy data. These techniques have been applied in many areas of data analysis including imaging, spectroscopy, and scattering [Gull and Skilling, 1984]. The techniques have proven particularly useful in astronomy [Narayan and Nityanada, 1984]. In many of these applications the goal of the reconstruction is the detection of point objects against a noisy background. In this work we investigate the applicability of ME techniques to data sets which have strong components which are periodic in space or time. The specific interest in our laboratory is High Resolution Electron Micrographs of beam sensitive materials. However, ME techniques are of general interest for all types of data. These data mayor may not have a spatial or temporal character. Figure 1 shows an HREM image of the rigid-rod polymer poly(paraphenylene benzobisoxazole) (PBZO). The 0.55 nm spacings in the image correspond to the lateral close-packing between the extended polymer molecules. Near the center of this crystallite there is evidence for an edge dislocation. In HREM images both the frequency and position of the infonnation is important for a proper interpretation. Therefore, it is necessary to consider how image processing affects the fidelity of this information in both real and Fourier space.

Microcluster Physics provides a lucid account of the fundamental physics of all types of microclusters, outlining the dynamics and static properties of this new phase of matter intermediate between a solid and a molecule. Since originally published in 1991, the field of microclusters has experienced surprising developments, which are reviewed in this new edition: The determination of atomic structure, spontaneous alloying, super-shell, fission, fragmentation, evaporation, magnetism, fullerenes, nanotubes, atomic structure of large silicon clusters, superfluidity of a He cluster, water clusters in liquid, electron correlation and optimizsation of the geometry, and scattering.

Alexander L. Reznichenko and Kai C. Hultzsch: Catalytic -Bond Metathesis Zhichao Zhang, Dongmei Cui, Baoli Wang, Bo Liu, Yi Yang: Polymerization of 1,3-Conjugated Dienes with Lanthanide Precursors Frank T. Edelmann: Homogeneous Catalysis using Lanthanide Amidinates and Guanidinates Tianshu Li, Jelena Jenter, Peter W. Roesky: Rare Earth Metal Post-metallocene Catalysts with Chelating Amido Ligands

The creation of molecular materials that have desired electrical conductance and magnetic properties demands the precise arrangement of molecules in the solid state. Such controlled arrangement has been achieved very elegantly by supramolecular chemists, especially those practising crystal engineering. This book, which presents articles by foremost experts in crystal engineering, molecular conductors and magnetic magnetism, reveals the results of an interdisciplinary union that may well have a profound influence on the future of materials science. Theoretical studies reveal potential areas of interest for those investigating molecular conductors and magnets, as well as materials that exhibit both properties. A unique survey of the state of the art appealing to all those doing research in supramolecular chemistry and materials science.

We are proud to celebrate the 50th anniversary of the calixarenes. In 1944, Zinke and Ziegler proposed a cyclotetrameric structure for an oligomer extracted from the condensation product mixture obtained by reacting p-tert-butyl phenol with formaldehyde in the presence of sodium hydroxide. Fifty years on, calixarenes are the basis of many different areas of chemical research, with development occurring at an increasing pace over the past decade in particular. The present volume does not provide an overview of all these developments, but is rather a celebration of some of the highlights. This presentation of the intricate mosaic of diversity that characterizes calixarene chemistry will stimulate further developments in this fascinating field.

Homogeneous catalysis plays an important role both in the laboratory and in the industry. Successful applications in industry involve new polymerisation processes with complexes of zirconium and related metals, new carbonylation processes employing palladium and rhodium, ring opening polymerisations, and new enantioselective isomerisation catalysts as in the preparation of menthol. Also in the synthesis of organic compounds in the laboratory highly selective homogeneous catalysts represent an irreplaceable part of the toolbox of the synthetic chemist. Examples of such reactions are cross-coupling (Ni, Pd), nucleophilic substitution of allylpalladium complexes, Heck reactions (Pd), asymmetric epoxidation, Wacker type reactions (Pd), asymmetric hydrogenations (Rh, Ru), reactions of chromium complexes, enantioselective reactions with Lewis acids, reactions with the McMurry reagent, etc. There is hardly any multistep organic synthesis that does not involve one of these metal catalysed reactions. Most of these catalysts have been developed by empiricism. The metal catalysed processes consist of a series of elementary steps which often have been studied in isolation in organometallic chemistry. The knowl- edge of such elementary steps - effect ofligands, anions, coordination number, valence states - has greatly contributed to the development of improved cata- lysts for the reactions mentioned above. In addition to the empirical approach theoretical methods have given support and guidance to the development of improved processes. Often the key steps of a cycle escape from a direct ob- servation and then theoretical contributions are even more wanted.

This book presents mathematical models that arise in current photographic science. The book contains seventeen chapters, each dealing with one area of photographic science, and a final chapter containing exercises. Each chapter, except the two introductory chapters, begin with general background information at a level understandable by graduate and undergraduate students. It then proceeds to develop a mathematical model, using mathematical tools such as ordinary differential equations, partial differential equations, and stochastic processes. Next, some mathematical results are mentioned, often providing a partial solution to problems raised by the model. Finally, most chapters include open problems. The last chapter of the book contains "Modeling and Applied Mathematics" exercises based on the material presented in the earlier chapters. These exercises are intended primarily for graduate students and advanced undergraduates.

Biochemistry of Scandium and Yttrium gathers together existing knowledge about scandium and yttrium from a wide variety of disciplines. Part 2 addresses the biochemical aspects of these two elements, and the various medical and environmental applications. (Part 1 presents a comparative study of the physical and chemical properties of scandium and yttrium, looking at both their similarities and their differences.) While these elements are relatively rare in nature, these books will show that they have unusual physical and chemical properties, and a disproportionate number of important applications. Improved analytical techniques have revealed that scandium and yttrium are present throughout living matter, even though only a relatively limited number of species have been analyzed so far. This fact of course has far-ranging implications for biological and environmental concerns. The major impacts of scandium and yttrium in science, technology, and medicine will be of interest to a wide variety of researchers, including geochemists, inorganic and organic chemists, clinical biochemists, and those specializing in environmental protection.

The book presents the method of thermodynamic Green Functions applied to the problems of electrochemistry. The basic theorems and their derivations are found at the didactic level which requires, however, a knowledge of the principles of quantum mechanics and statistical physics. The book is mainly based on the results of papers published during the last fifteen years by its authors and their coworkers from the Department of Theoretical Chemistry and the Department of Solid State Physics of the University ofL6di (poland) within the context of the results reported in literature. Although the Green Functions Method has become very popular in solid state physics, there are almost no applications of this technique to electrochemistry. The only papers where the Green Functions Method is applied to the molten salts and liquid mercury theory are the precursory works published by Professor S. G. Davison and his coworkers from the Waterloo University (Canada) in the early eighties. We hope that the present book can fill this gap in the electrochemical literature.

Although this is a handbook for policy and regulation, the major part of it is filled with data on the three heavy metals that served as examples: mercury, cadmium and lead. Their stocks, productions, prices, trade flows, uses and applications, recovery and recycling, as well as their (eco)toxicological characteristics have been collected and presented to their fullest extent. In addition, they are thoroughly analysed for consistency, future developments and trends and, of course, their consequences for sustainable development and future policy and regulation. The second part, on policy and regulation, begins with an extensive and fundamental consideration on the characteristics of a sustainable heavy metals policy, whereby innovative policy tools are developed. In many aspects, these considerations are also valid for other metals and even non-metallic persistent substances. Addressing the European Union in particular, its policy-making structure and practice are critically analysed, in order to develop feasible and viable guidelines for long-, medium- and short-term EU policy measures. The results of this exercise are then applied to the three heavy metals. In each of these three chapters, all existing EU measures are presented in detail and confronted with better practices elsewhere, resulting in many suggestions and recommendations for the future. In the last chapter, the main conclusions and recommendations are carefully summarised. Together with a very extended table of contents, this makes the book easily accessible, in spite of its volume. This Handbook is a must for policy-makers and administrators at all levels, as well as for their counterparts in a wide variety of industries. In addition, it is well-suited for environmental science courses at academic or higher professional level.

Born and initially developed in various industrial laboratories, mainly in U.S.A. and Gennany, homogeneous phase catalytic carbon monoxide hydrogenation and alcohols and their derivatives carbonylation and homologation, have generally been considered and reviewed separately in the course of their 40 years history without concern for common aspects in the chemical transfonnations and in catalysis. Thanks to researchers of Japanese companies participating in the National C 1 Chemistry Project (1980-1987) the scientific and technical approaches in this field have been unified and applied in parallel, in the light of some common aspects of the chemical reactions and mechanisms. Now, at a moment when research seems becahned, a general presentation and discussion of the most recent topics might be an useful basis for further development of this chemistry. To delimit and simplify the discussion of the chemical aspects and the nature of the catalysts involved, the present review is limited to reactions employing homogeneous metal complexes for the direct conversion of syngas to oxygenates and to the hydrocarbonylation of these last to homologous derivatives. Since the previous practically contemporary reviews by Dombek [in Adv. Organomet. Chern. (1983)] on CO hydrogenation and by the present authors [in Asp.Homog.Catal.(Reidel Pu.l984)] on alcohol homologation fully cover the literature up to 1982, here we mainly refer to work done after 1982, and consider the cited reviews as covering the historical development of research in the 1940- 1980 period.

Although, carbon is only one of one hundred plus elements, the polymer science lit erature consists primarily of studies on carbon based polymers. In part, this reflects the varied feedstock sources and in part, the type of bonds and bond forming reactions avail able to form organic polymers that are not available to the inorganic and organometallic chemist. However, recent intense interest in polymers with novel optical, electronic or magnetic properties or polymers that can serve as precursors to ceramic, semiconductor, metallic or superconductor materials has served as a driver for the development of novel synthetic routes and characterization techniques that have launched many new inorganic and organometallic oligomers and polymer systems. The following chapters represent an effort to provide an overview of several new and continuing areas of development in inorganic and organometallic polymer science. This book represents the second in a series of books we have edited on inorganic and organometallic polymer chemistry (1. Transformation of Organo-metallics into Common and Exotic Materials, NATO ASI Series Vol 141. 3. Inorganic and Organometallic Polymers with Special Properties, NATO ASI Series in press). In this series, we attempt to develop, for the reader, an understanding of the breadth, depth and potential of inorganic and organometallic polymer science."

The demand for selective organic reactions is growing more acute everyday. Indeed, greater product selectivity has an important impact on energy and resource utilization, in terms of reduced process energy requirements for product separation and purification, in terms of low-value by-products, and in terms of environmental acceptance and compatibility. Moreover, more and more chemicals, especially pharmaceuticals, have to be sold in an optically active form. The search for selectivity constitutes a tremendous challenge for the chemists. In the last two decades, homogeneous transition metal based catalysis has emerged as one of the most promising tools for obtaining selectivity. In connection with developments in this area, this book contains updated and expanded versions of most of the lectures presented at a Cornett course held in Trieste (Italy) in 1989 and sponsored by the European Community. A primary aim is to cultivate a deeper understanding of the parameters that govern the selectivities and stimulate a wider utilization of transition metal based catalysis in organic synthesis. All aspects of selectivity, chemo-, regio-, stereo- and enantioselectivity are considered and illustrated by applications in various fields or organic synthesis. The impact of catalysis in oxydation, reduction, carbonylation reactions, carbene chemistry, in Ni and Pd promoted dimerizations, oligomerizations as well as fonctionalisations is stressed, quite often with special emphasis laid on reaction mechanisms. In this aspect, the last chapter examplifies the interest of high pressure NMR and IR when investigating the nature of reaction intermediates in homogeneous reactions.

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

Most organic molecules retain their integrity when dissolved, and even though in such cases the effects exerted by solvents are, in the language of the coordination chemist, of the "outer sphere" kind, the choice of solvent can be critical to the successful outcome of an operation or preparation. Solubilities of reactants and products must be taken into account, and even if the organic principals in the reactions retain their integrity, many of the reagents are electrolytes, and their state of aggregation will affect their reactivity. In testifying to the importance of understanding solute-solvent interactions I draw attention to a large class of inorganic species for which the involvement in the chemical and physical properties by the solvent is even more deeply seated. It is comprised by the large body of metal atoms in low oxidation states for which solvent molecules intervene as reagents. At the same time, because the ions carry charges, the effects arising from outer sphere interactions are usually greater than they are for neutral molecules. To cite an example: when FeCb(s) is dissolved in water to form a dilute - say O. OlO- solution there is a complete reorganization of the coordination sphere of the cation. Whereas in the solid each cation is surrounded by six chloride ions, in the solution the dominant form is [Fe(H20)6]3+ followed by [Fe(H20)sCI]2+, [Fe(H20)4CI2]+, etc. in rapidly decreasing abundance.

In this book, originally published in 1983, a synthesis of old and new notions straddling the disciplines of physics and chemistry is described; and this provides a means of exploiting ligan-field properties of transition-metal and lathanide complexes leading to a quantified chemical insight into the individual metal-ligand interactions in these molecular species. Electronic spectroscopy and the ESR technique are well documented, but there has long been a need for a thorough description of magnetochemistry. A major section of this book therefore provides a details account of the physics and chemistry of paramagnetism. The second main section is concerned with those aspects of ligand-field theory that are required to construct the working composite defining ligand-field analysis. Though the book is intended for the research chemist, the subject matter and level of some of the material is suitable for both advanced undergraduate and postgraduate chemists and solid-state physicists.

During recent years a high level of interest has been maintained in the kinetics and mechanisms of inorganic compounds in solution, and there has also been a notable upsurge of literature concerned with reaction mechanisms of organo transition metal compounds. The reviews of the primary literature previously provided by "Inorganic Reaction Mechanisms" (Royal Society of Chemistry) and "Reaction Mechanisms in Inorganic Chemistry" in "MTP International Re views of Science" (Butterworths) continue to be of considerable value to those concerned with mechanistic studies, and it is unfortunate they are no longer published. The objective of the present series is to provide a continuing critical review of literature dealing with mechanisms of inorganic and organometallic reactions in solution. The scope of potentially relevant work is very large, particularly in the field of organotransition metal chemistry, and papers for inclusion have been chosen that specifically probe mechanistic aspects, rather than those of a prep arative nature. This volume covers the literature published during the period July 1979 to December 1980 inclusive. Material is arranged basically by type of reaction and type of compound along generally accepted lines. Numerical data are usually reported in the units used by the original authors, though the units of some results have been converted in order to make comparisons.

Organic chemistry has played a vital role in the development of diverse molecules which are used in medicines, agrochemicals and polymers. Most ofthe chemicals are produced on an industrial scale. The industrial houses adopt a synthesis for a particular molecule which should be cost-effective. No attention is paid to avoid the release of harmful chemicals in the atmosphere, land and sea. During the past decade special emphasis has been made towards green synthesis which circumvents the above problems. Prof. V. K. Ahluwalia and Dr. M. Kidwai have made a sincere effort in this direction. This book discusses the basic principles of green chemistry incorporating the use of green reagents, green catalysts, phase transfer catalysis, green synthesis using microwaves, ultrasound and biocatalysis in detail. Special emphasis is given to liquid phase reactions and organic synthesis in the solid phase. I must congratulate both the authors for their pioneering efforts to write this book. Careful selection of various topics in the book will serve the rightful purpose for the chemistry community and the industrial houses at all levels. PROF. JAVED IQBAL, PhD, FNA Distinguished Research Scientist & Head Discovery Research Dr. Reddy's Laboratories Ltd.

Molten salts have been used for many years in a large number of industrial applications, and interest in them has increased mark edly in the present century. There is a vast amount of experi mental data published on molten salt systems, and much of this is due to Russian workers. In 1961 the Russian Academy of Sciences published a manual dealing with work in the period 1886-1955. These were updated in 1979 with the publication of a 3-volume collection of binary phase diagrams. The present volume is a translation of the Russian books but is restricted to the systems involving halides. In order to keep the length of the book within bounds the data have been recast. The Russian work treats each system in detail, giving data, methods of study, references, and figures, where available, all together. In this translation all the information is given, but to keep the length down the methods have been classified, the references collected at the end of the volume, and the data given in tabular form. All the figures for halide systems in the Russian volume are included. In the tables, concentrations are given in mole percent; in some cases these have been converted from weight per cent in the original Russian. Where the Russian work was. in tabular form, these have been translated as given. Where the figures exist, these are referred to in the text."

Cryogenics is an emerging technology filled with promises. Many cryogenic systems demand the use of nonmetallics and composites for adequate or increased performance. Thermal and electrical insulations, potting for superconducting magnets' mechanical sta bility, and composite structures appear to be some of the most significant applications. Research on nonmetallics at cryogenic temperatures has not progressed to the degree of research on metals. Nor can room temperature research be extrapolated to low tempera tures; most polymers undergo a phase transformation to the glassy state below room temperature. Research by producers, for the most part, has not been prac tical, because, except for LNG applications, the market for large material sales is not imminent. There are, however, many government stimulated developmental programs. Research on nonmetallics thus is dictated by development project needs, which require studies orien ted toward prototype hardware and specific objectives. As a result, research continuity suffers. Under these conditions, periodic topical conferences on this subject are needed. Industry and uni versity studies must be encouraged. Designers and project research material specialists need to exchange experiences and data. Low temperature-oriented research groups, such as the National Bureau of Standards and the Institute for Technical Physics - Karlsruhe, must contribute by assisting with fundamentals, interpreting proj ect data, and contributing to project programs through their materials research."

"Relativistic Methods for Chemists," written by a highly qualified team of authors, is targeted at both experimentalists and theoreticians interested in the area of relativistic effects in atomic and molecular systems and processes and in their consequences for the interpretation of the heavy element's chemistry.

The theoretical part of the book focuses on the relativistic methods for molecular calculations discussing relativistic two-component theory, density functional theory, pseudopotentials and correlations. The experimentally oriented chapters describe the use of relativistic methods in different applications focusing on the design of new materials based on heavy element compounds, the role of the spin-orbit coupling in photochemistry and photobiology, and chirality and its relations to relativistic description of matter and radiation.

This book is written at an intermediate level in order to appeal to a broader audience than just experts working in the field of relativistic theory.

After the success of the previous summer schools organized by the Nuclear Physics Division of the Netherlands' Physical Society in 1975 and 1977, we thought it worthwhile to continue this tradition. The immediate very positive reactions received from all invited speakers encouraged us to proceed with the orgaization. Although the number of students had to be restricted to about one hundred, the international character of the School was evident from about thirty nationalities which were represented. The material contained in this book covers the talks given by all speakers invited to lecture on the subject of nuclear structure research. These proceedings should therefore serve as an excellent introduction to many topics of current interest in this exciting field. We hope that the lectures and discussions as well as the many informal contacts made during the various social activities will greatly stimulate interest in nuclear structure investigations among all the participants. The organization of the summer school has been made possible by substantial support given by the Scientific Affairs Division of the North Atlantic Treaty Organization, the Netherlands' Ministry of Education and Science and the Netherlands' Physical Society. The invaluable help of the "Bureau Congressen" of the Ministry of Education and Science and the friendly assistance of the manage ment of the College of Agriculture in Dronten contributed greatly to the pleasant atmosphere during the summer school."

Phthalocyanines exhibit intriguing physic-chemical properties that render them important as a class of molecular functional materials. In addition to their tra- tional industrial applications as dyes and pigments, more recently their use as the organic semiconductors,photodynamictherapy medicines, non-linear optical ma- rials, catalysts for the photo oxidation, optical recording materials, and gas sensors attracts great research interests in these tetrapyrrole species. As manifested by the rapidly increasing number of related scienti?c publications in recent years, great progress has been made in the ?eld of advanced phthalocyaninematerials. Tremendous efforts have been paid toward the development of new phtha- cyanine molecular materials as well as toward their applications. Recent emphasis in both academic researches and technical ?eld has been put on the design and synthesis of novel phthalocyanine species, the structure-propertyrelationship, se- assembly properties, molecular electronics and opto-electronics, and dye-sensitized solarcells.Althoughexcellentreviewsandmonographsaboutphthalocyanineswere publishedseveralyearsago,it is time to providea surveyof a numberof newimp- tant developments in this fascinating area of phthalocyanine chemistry. The aim of this book is to bring both the academic and industrial researchers an easy way to the new progress of phthalocyanines made lately in related ?eld.

The present volume of this series, following the tradition of the previous volumes, covers three major lines of research on crystallization: growth from vapor and epitaxy, growth from solution, and growth from melt. As in the previous volumes, preference is given to papers that provide original results and reviews of results obtained by the authors and those from published sources, although some of the papers are either purely original or purely of review character. The first section deals with crystal growth from vapor and epitaxy and contains three papers. One of them, on artificial epitaxy, discusses and reviews published results from the last three years in this rapidly developing area. The results are used in outlining mechanisms for oriented film growth on amorphous substrates. Another paper in this section deals with classical epitaxy, namely oriented growth on single-crystal substrates, where some important conclusions are drawn from the growth of gallium nitride films on sapphire, which concern the orientation relationships in that pair of substances. The last paper in the section deals with film growth under ion bombardment (the corresponding techniques in film crystallization have already advanced from theory to practical applications).