This volume highlights the recent advances and state of art in the experimental and theoretical studies of organometallic magnets. A plethora of organic ligands such as Mannich-base derivatives, redox-active chromophores, cyanides, Schiff base among others are used to coordinate to 3d transition metals, 4f lanthanides and 5f actinides to design the molecular magnets. Deep analysis of the coordination sphere symmetry, electronic distribution, luminescence are investigated to perform magneto-structural correlation leading to a better understanding of the magnetic properties. Furthermore, the rationalization of the magnetic behavior can be reached using ab initio calculations. The multiple applications that these molecular magnets offer could revolutionize the high-density data storage, spintronics and quantum computing technologies. This volume provides a discussion of these topics from leading international experts and will be a useful reference for researchers working in this field.

It has long been recognized that metal spin states play a central role in the reactivity of important biomolecules, in industrial catalysis and in spin crossover compounds. As the fields of inorganic chemistry and catalysis move towards the use of cheap, non-toxic first row transition metals, it is essential to understand the important role of spin states in influencing molecular structure, bonding and reactivity. Spin States in Biochemistry and Inorganic Chemistry provides a complete picture on the importance of spin states for reactivity in biochemistry and inorganic chemistry, presenting both theoretical and experimental perspectives. The successes and pitfalls of theoretical methods such as DFT, ligand-field theory and coupled cluster theory are discussed, and these methods are applied in studies throughout the book. Important spectroscopic techniques to determine spin states in transition metal complexes and proteins are explained, and the use of NMR for the analysis of spin densities is described. Topics covered include: * DFT and ab initio wavefunction approaches to spin states * Experimental techniques for determining spin states * Molecular discovery in spin crossover * Multiple spin state scenarios in organometallic reactivity and gas phase reactions * Transition-metal complexes involving redox non-innocent ligands * Polynuclear iron sulfur clusters * Molecular magnetism * NMR analysis of spin densities This book is a valuable reference for researchers working in bioinorganic and inorganic chemistry, computational chemistry, organometallic chemistry, catalysis, spin-crossover materials, materials science, biophysics and pharmaceutical chemistry.

This book presents an original investigation into alternative photovoltaic absorbers. Solar power is a highly promising renewable energy solution; however, its success is hampered by the limited cost-effectiveness of current devices. The book assesses the photovoltaic performance of over 20 materials using state-of-the-art, first-principles methods. Adopting a computational approach, it investigates atomic-scale properties at a level of accuracy that is difficult to achieve using laboratory-based experimental techniques. Unlike many theoretical studies, it provides specific advice to those involved in experimental investigations. Further, it proposes directions for future research. This book advances the field of photovoltaics in three crucial ways: firstly, it identifies why one class of proposed materials cannot achieve high efficiency, while at the same time gaining insights that can be used to design future absorbers. Secondly, it shows that poor performance in the bismuth chalcohalides is not due to fundamental limitations, and can be overcome by finely controlling synthesis conditions. Lastly, it describes a range of new stable materials that are expected to show excellent photovoltaic performance.

Optical Spectroscopy of Lanthanides: Magnetic and Hyperfine Interactions represents the sixth and final book by the late Brian Wybourne, an accomplished pioneer in the spectroscopy of rare earth ions, and Lidia Smentek, a leading theoretical physicist in the field. The book provides a definitive and up-to-date theoretical description of spectroscopic properties of lanthanides doped in various materials.

The book integrates computer-assisted calculations developed since Wybourne's classic publication on the topic. It contains useful Maple(TM) routines, discussions, and new aspects of the theory of f-electron systems. Establishing a unified basis for understanding state-of-the-art applications and techniques used in the field, the book reviews fundamentals based on Wybourne's graduate lectures, which include the theory of nuclei, the theory of angular momentum, Racah algebra, and effective tensor operators. It then describes magnetic and hyperfine interactions and their impact on the energy structure and transition amplitudes of the lanthanide ions. The text culminates with a relativistic description of "f"↔"f" electric and magnetic dipole transitions, covering sensitized luminescence and a new parametrization scheme of f-spectra.

Optical Spectroscopy of Lanthanides enables scientists to construct accurate and reliable theoretical models to elucidate lanthanides and their properties. This text is ideal for exploring a range of lanthanide applications including electronic data storage, lasers, superconductors, medicine, nuclear engineering, and nanomaterials.

Breakthrough research and innovative science . . .

PROGRESS in Inorganic Chemistry

Nowhere is creative scientific talent busier than in the world of inorganic chemistry. This fascinating series provides the field of inorganic chemistry with a forum for critical and authoritative evaluations of advances in every area of the discipline. With contributions from internationally renowned chemists, this latest volume of Progress in Inorganic Chemistry continues to report the most recent advances with an innovative, cutting-edge style.

"This series is distinguished not only by its scope and breadth, but also by the depth and quality of the reviews."
–Journal of the American Chemical Society

"[This series] has won a deservedly honored place on the bookshelf of the chemist attempting to keep afloat in the torrent of original papers on inorganic chemistry."
–Chemistry in Britain

CONTENTS OF VOLUME 49

• Nonclassical Metal Carbonyls
  (Anthony J. Lupinetti and Steven H. Strauss, Colorado State University, Fort Collins, Colorado, and Gernot Frenking, Philipps-Universitat Marburg, Germany)
• The Influence of Ligands on Dirhodium(II) on Reactivity and Selectivity in Metal Carbene Reactions
  (Michael P. Doyle, University of Arizona, Tucson, Arizona, and Tong Ren, University of Miami, Coral Gables, Florida)
• Coordination Chemistry of Transition Metals with Hydrogen Chalcogenide and Hydrochalcogenido Ligands
  (Maurizio Peruzzini and Isaac De Los Rios, Instituto per lo Studio della Stereochimica ed Energetica dei Composti de Coordinazione, CNR, Firenze, Italy, and Antonio Romerosa, Universidad de Almeria, Spain)
• The Coordination Chemistry of Phosphinines, Their Polydentate and Macrocyclic Derivatives
  (Nicolas Mézailles, François Mathey, and Pascal le Floch, École Polytechnique, Palaiseau Cedex, France)
• Texaphyrins: Synthesis and Development of a Novel Class of Therapeutic Agents
  (Tarak D. Mody and Lei Fu, Pharmacyclics, Inc., Sunnyvale, California, and Jonathan L. Sessler, University of Texas at Austin, Texas)
• The Chemistry of Synthetic Fe-Mo-S Clusters and Their Relevance to the Structure and Function of the Fe-Mo-S Center in Nitrogenase
  (Steve M. Malinak, Albion College, Michigan, and Dimitri Coucouvanis, University of Michigan, Ann Arbor, Michigan)

Metals in pharmaceuticals have played an increasingly important role in medicine over the last century, particularly in cancer therapy and diagnostic imaging methods. Medicinal Applications of Coordination Chemistry focuses on the role that transition metals play in clinical applications. Medicinal Applications of Coordination Chemistry begins with a brief historical review and an introduction to the chemistry of d- and f- block metals. Subsequent sections discuss metallodrugs for a number of different applications, the design of new drugs and the relationship between structure and function. Key sections include diagnostic applications of metal compounds in anatomical and functional imaging, and therapeutic applications of metals compounds. This book is ideal for researchers in academia and industry and comes complete with examples of real life applications.

Actinide elements and their chemistry have a significant number of applications. Bringing together contributions from the leading experts in the field, Recent Advances in Actinide Science covers six main topics: * Analysis, the environment and biotransformations * Coordination and organometallic chemistry * Heavy elements * Nuclear fuels, materials and waste forms * Separations and solution chemistry * Spectroscopy, magnetism and superconductivity Covering a wide range of research from pure academic studies to applied industrial science and technology, this book distils the knowledge and achievements gained in actinide science over the last four years. This high level book is aimed at researchers, both industrial and academic, and provides a comprehensive overview of the current status of actinide science.

Structure and Geometry.- Hierarchic structure.- The structure of quasicrystals: from diffraction patterns to atom positions.- Determination of quasi-crystal structures by higher dimensional analysis.- Six-dimensional atoms for a decorated three-dimensional Penrose tiling.- Metrical aspects of quasicrystal embedding in superspace.- Landau theory and direct methods for crystal structures analysis.- Geometry of films of amphiphile molecules: a curved space approach.- Geometrical approach of blue phases.- Electron microscopy and quasicrystals.- On the dark field imaging behaviour of icosahedral phases in rapidly cooled aluminium alloys.- Electron microscopy of modulated structures.- Models for Stability and Growth.- Physical models of perfect quasicrystal growth.- Generation and dynamics of defects in two-dimensional quasicrystals.- Intrinsic stability of quasicrystals and behavior under a load of Frenkel defects.- Reconstructive phase transition to the icosahedral phase.- Structure and growth of twoand three-dimensional hexatic liquid crystals.- The tiling structure of simple liquids: squares and triangles in two dimensions.- Does cholesteric blue phase III have an icosahedral structure ?.- Intrinsic frustration and space curvature in smectic A liquid crystals.- Critical behavior of polymorphic smectic-A liquid crystals.- Universal behavior in phospholipid multimembrane systems.- Pattern formation during the ordering processes in nematic liquid crystals.- Spatially modulated structures in models with competing interactions some new results.- Weakly periodic structures with a singular continuous spectrum.- The Anderson metal-insulator transition: incommensurate versus disordered systems.- Theory of phase transition between two incommensurate phases in NbTe4.- The origin of polytypes in SiC and ZnS.- Structural modulations in the high-temperature superconductor YBa2Cu3O7.? and semi conducting WO3-x, aspects of non-equilibrium behaviour.- Incommensurate modulations in bismuth-based high-Tc superconductors.- Incommensurate commensurate phase transition of Cu2-xTe. (x

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

The book provides an in-depth discussion regarding inorganic ion exchangers for students, teachers, and researchers engaged in conducting research in chemical technology and related areas. Analytical chemists seeking simple and novel means of using easy-to-prepare chromatographic materials will find this book extremely informative. Inorganic Ion Exchangers in Chemical Analysis is unique in its discussion of column and planar chromatographic applications of amorphous synthetic inorganic ion exchangers. The book also covers the historical background of iorganic ion exchangers, their classification and present status, and the analytical aspects of these materials.

High surface area, a microporous structure, and a high degree of surface reactivity make activated carbons versatile adsorbents, particularly effective in the adsorption of organic and inorganic pollutants from aqueous solutions. Activated Carbon Adsorption introduces the parameters and mechanisms involved in the activated carbon adsorption of organic and inorganic compounds. This text brings together the most significant research on surface structure and processes, adsorption theories and isotherm equations, and applications from the latest literature on carbon adsorption. The book clearly explains the surface-related interactions of activated carbons, their energetics, and the applicability of adsorption isotherm equations and their deviation from adsorption data. It then explores numerous applications in a wide range of areas, such as nuclear technology, vacuum technology, food technology, pharmaceuticals and medicine, gas storage, oil refining, and environmental remediation. Topics include: oils and fats, molecular sieves, refining of liquid fuels, pesticides, dyes, drugs, and toxins. Three chapters are dedicated to environmental applications, including the adsorption of halogenated organic compounds and the removal of hazardous gases and vapors, organo-sulphur compounds, and other inorganic compounds from wastewater and groundwater. Activated Carbon Adsorption presents a complete survey of the growing number of state-of-the-art applications supported by a compilation of the latest perspectives in research concerning carbon surfaces and their adsorption processes from aqueous solutions. Its unified approach promotes further research towards improving and developing newer activated carbon adsorbents and processes for the efficient removal of pollutants from drinking water and industrial effluents.

As inorganic materials are put to more and more practical uses--mainly in electric, magnetic, and optical devices--materials scientists must have an increasingly sophisticated understanding of the chemical and physical properties of inorganic compounds. This volume--the first of its kind in twenty years--provides a unified presentation of the chemistry of non-stoichiometric compounds based on statistical thermodynamics and structural inorganic chemistry. Four modern examples of non-stoichiometric compounds--ionic conducting compounds, hydrogen absorbing alloys, magnetic materials, and electrical materials--are discussed in detail. Students and researchers in structural inorganic chemistry, crystallography, materials science, and solid state physics will find this much-needed book both practical and informative.

Designated 'Molecule of the Year' in 1992 in recognition of its many biological roles, nitric oxide has wide significance in the world around us and the story of nitric oxide is still unfolding. This small and seemingly innocent molecule has for many years been known to play a significant role in both the creation of photochemical smogs and in the nitrogen cycle. It has an interesting chemistry as a metal ligand, and the bonding within the nitric oxide molecule has been extensively studied. More recently, the molecule has been in the spotlight for the role it plays in controlling blood flow, in the immune system and in brain activity. Life, Death and Nitric Oxide covers many of the topics relating to nitric oxide, from smog and catalytic converters to tumour growth, blood flow and Viagra, with the aim of finding out why such a simple molecule can do so much.

Chiral Derivatizing Agents, Macrocycles, Metal Complexes and Liquid Crystals for Enantiomer Differentiation in NMR Spectroscopy: Thomas J. Wenzel. Chiral NMR Solvating Additives for Differentiation of Enantiomers: Gloria Uccello-Barretta and Federica Balzano. Chiral Sensor Devices for Differentiation of Enantiomers: Kyriaki Manoli, Maria Magliulo and Luisa Torsi. Enantiopure supramolecular cages: synthesis and chiral recognition properties: Thierry Brotin, Laure Guy, Alexandre Martinez, Jean-Pierre Dutasta. Interconversion of Stereochemically Labile Enantiomers (Enantiomerization) : Oliver Trapp. Anisotropy Spectra for Enantiomeric Differentiation of Biomolecular Building Blocks: A.C. Evans, C. Meinert, J.H. Bredehoeft, C. Giri, N.C. Jones, S.V. Hoffmann, U.J. Meierhenrich. Self-disproportionation of Enantiomers of Enantiomerically Enriched Compounds: Alexander E. Sorochinsky and Vadim A. Soloshonok.

Calcium and comparable cations are fast being recognised for their role as vital components of animal physiology. When trying to answer questions such as why salmon can adjust to life in fresh water as well as seawater, or why chilli peppers taste hot to humans but evoke little response from chickens, we often find the answers lie in patterns of movement of these ions and their roles in sensing, transmitting and collecting messages. Bringing together scattered literature on calcium, sodium, potassium and magnesium in biology, this book examines important biological contributions of these ions including enzyme activation, effects in all types of muscle and biomineralization. Attention is focused on: channel construction and ion movement; calcium as a second messenger and in the construction of solids and ion channelopathies, with the help of personalities such as Agatha Christie, van Gogh and Captain Cook. The Role of Calcium and Comparable Cations in Animal Behaviour will be valued by a wide-range of readers including students of bioinorganic chemistry and animal behavioural studies, teachers and other professionals in academia.

This timely publication will be welcomed by those needing access to the latest research in the profitable field of industrial mineral process chemistry. It is an up-to-date account of the performance gains achievable in the use of speciality chemicals in industrial mineral processing and products, with each chapter presenting the new and potentially valuable technology for consideration. This book presents the most recent research in this key area and is unique in its coverage. Diverse topics such as dispersants, dewatering and flocculants, are discussed, along with selective processing and biocides. Speciality Chemicals in Mineral Processing is an essential purchase for speciality chemical producers and users, particularly those in the paper, plastic, polymer, paint, rubber, adhesive and ceramic industries.

This book contains the contributions of 13 well known specialists in the field of solid state chemistry who had been invited as lecturers at a 1992 NATO Advanced Study Institute in Erice, Sicily. The chapters of a more general character concern the use of the space group - subgroup relationships for the recognition of structure families, the crystal chemical formulae (which is a way of denoting simple crystal chemical information in a condensed form), the concepts of atom co-ordination, atom volume and charge transfer and the physicist's view of the bond strength in the solid which is measured by the crystal orbital overlap population. It is demonstrated for the case of ionic compounds that the bond valence method is superior to the old sum-of-radii method for the prediction of interatomic distances. Simple valence electron rules can be applied fto compounds with tetrahedral anion complexes. These rules allow one not only to make predictions on expected structural features of unknown compounds, but also to point out inconsistencies between the reported structure and composition of known compounds. Detailed accounts are presented on the crystal chemistry of the superconducting copper oxides, the sulfosalts, the metal cluster compounds, the silicates and the transition metal borides and related compounds. In the case of intermetalic compounds the intergrowth concept is found to be very useful for an "understanding" of complicated atom arrangements. At the end of each chapter there can be found problems and their solutions. This makes it possible for (advanced) undergraduates in chemistry, physics, metallurgy, materials science and mineralogy to be able to profit from a study of this book.

The unexpected recent discovery and synthesis of a new form of elemental carbon has initiated an abundance of papers on all aspects of the chemistry and physics of the carbon family. Carbon Molecules and Materials takes stock of the current understanding of these various solid forms and, more particularly, of the diamond, graphite and fullerenes. After a historical background on the main properties of the element and on the latest discoveries in the field of fullerene, the chapters review the chemical and physical aspects of the allotropic forms. It describes the various properties such as thermodynamic, chemical, structural, electronic, electrical, optical and magnetic, and discusses current and potential applications. Written by scientists active in physical and chemical research on the various forms of carbon and closely related fields, the book presents a wealth of information on data and results for students and researchers interested in materials science and in the applications of advanced materials.

Coordination chemistry, as we know it today, has been shaped by major figures from the past, one of whom was Joseph Chatt. Beginning with a description of Chatt's career presented by co-workers, contemporaries and students, this fascinating book then goes on to show how many of today's leading practitioners in the field, working in such diverse areas as phosphines, hydrogen complexes, transition metal complexes and nitrogen fixation, have been influenced by Chatt. The reader is then brought right up-to-date with the inclusion of some of the latest research on these topics, all of which serves to underline Chatt's continuing legacy. Intended as a permanent record of Chatt's life, work and influence, this book will be of interest to lecturers, graduate students, researchers and science historians.

This book provides a collection of contributed chapters, delivering a comprehensive overview of topics related to the synthesis and crystal growth of nitride compounds under supercritical ammonia conditions. Focusing on key chemical and technological aspects of ammonothermal synthesis and growth of functional nitride compounds, the book also describes many innovative techniques for in-situ observation and presents new data fundamental for materials synthesis under ammonothermal conditions. With its detailed coverage of many thermodynamic and kinetics aspects, which are necessary for understanding and controlling crystal growth, this contributed volume is the ideal companion to materials chemists and engineers at any point in their journey in this rich and exciting field.

This reference explores the sources, characteristics, bioeffects, and health hazards of extremely low-frequency (ELF) fields and radio frequency radiation (RFR), analyzing current research as well as the latest epidemiological studies to assess potential risks associated with exposure and to develop effective safety guidelines. Compiles reports and investigations from four decades of study on the effect of nonionizing electromagnetic fields and radiation on human health Summarizing modern engineering approaches to control exposure, Electromagnetic Fields and Radiation discusses: -EM interaction mechanisms in biological systems -Explorations into the impact of EM fields on free radicals, cells, tissues, organs, whole organisms, and the population -Regulatory standards in the United States, Canada, Europe, and Asia Pacific -Evaluation of incident fields from various EM sources -Measurement surveys for various sites including power lines, substations, mobile systems, cellular base stations, broadcast antennas, traffic radar devices, heating equipment, and other sources -Dosimetry techniques for the determination of internal EM fields -Conclusions reached by the Food and Drug Administration, World Health Organization, and other institutions

With contributions from world-renowned experts in the field, this book explores developments in the transport kinetics, seasonal cycling, accumulation, geochemistry, transformation, and toxicology of arsenic. It details advances in the prevention and control of arsenic and arsenic compounds in the air, soil, and water and offers analytical methods for the detection and study of arsenic in the environment and human body. Providing bioremediation techniques for effective treatment of contaminated water supplies, the book discusses factors that influence the removal of arsenic from water as well as diurnal and seasonal variations in the arsenic concentration of surface water supplies.

Water Oxidation Catalysts, Volume 74, the latest release in the Advances in Inorganic Chemistry series, presents timely and informative summaries on current progress in a variety of subject areas. This acclaimed serial features reviews written by experts in the field, serving as an indispensable reference to advanced researchers. Users will find this to be a comprehensive overview of recent findings and trends from the last decade that covers various kinds of inorganic topics, ranging from theoretical oriented supramolecular chemistry, to the quest for accurate calculations of spin states in transition metals.

This book provides a fundamental understanding of the basis of the theoretical treatment of electronic properties in graphite. It illustrates the wide range of topics of interest to researchers on carbon materials and stimulates further understanding of some of the phenomena involved.

In the fields of biologically active materials and functional materials, fluorinated organic materials are becoming a focus of significant interest. Over the past decade synthetic methodologies and reagents in fluorine chemistry have been developed, especially stereocontrolled synthetic methods, enzymatic resolution to synthesize enantiomers, fluoromethylated reagents, and fluorination reagents. These methods have contributed to the opening of new pathways for fluorinated materials. However, few fluorinated materials have been put to commercial use. Furthermore, there remain problems to be solved, such as the handling of the materials, availability of reagents and selectivity (stereo-, regio-, and/or chemoselectivity). Research chemists, technical engineers, and graduate students in all branches of chemistry, pharmaceutics, and material science interested in fluorinated materials need to know detailed experimental procedures of how to synthesize the target fluorinated materials. This volume summarizes the chemical and microbial methods for obtaining functionalized fluorinated materials for use as building blocks; detailed experimental methods (reaction conditions, solvent, temperature, handling techniques, etc.); and the stereoview (possible absolute configuration) of the structures with spectral data. Mono-, di-, tri-, and polyfluorinated materials derived from fluorinating agents, fluoromethylated reagents and building blocks are summarized. A chemical name index, molecular formula index, and reagent index are also included. The publication of this monograph will provide access to the enormous possibilities in fluorine chemistry, biological material chemistry, and functionalized material chemistry.