This book focuses on theoretical and computational studies by the editor's group on the direct hydroxylation of methane, which is one of the most challenging subjects in catalyst chemistry. These studies of more than 20 years include gas-phase reactions by transition-metal oxide ions, enzymatic reactions by two types of methane monooxygenase (soluble and particulate MMO), catalytic reactions by metal-exchanged zeolites, and methane C-H activation by metal oxide surfaces. Catalyst chemistry has been mostly empirical and based on enormous experimental efforts. The subject of the title has been tackled using the orbital interaction and computations based on extended Huckel, DFT, and band structure calculations. The strength of the theoretical studies is in the synergy between theory and experiment. Therefore, the group has close contacts with experimentalists in physical chemistry, catalyst chemistry, bioinorganic chemistry, inorganic chemistry, and surface chemistry. This resulting book will be useful for the theoretical analysis and design of catalysts.

T. Koritsanszky, A. Volkov, M. Chodkiewicz: New Directions in Pseudoatom-Based X-Ray Charge Density Analysis.- B. Dittrich, D. Jayatilaka: Reliable Measurements of Dipole Moments from Single-Crystal Diffraction Data and Assessment of an In-Crystal Enhancement.- B. Engels, Th. C. Schmidt, C. Gatti, T. Schirmeister, R.F. Fink: Challenging Problems in Charge Density Determination: Polar Bonds and Influence of the Environment.- S. Fux, M. Reiher: Electron Density in Quantum Theory.- K. Meindl, J.Henn: Residual Density Analysis.- C. Gatti: The Source Function Descriptor as a Tool to Extract Chemical Information from Theoretical and Experimental Electron Densities.

This volume presents recent advances and current knowledge in the field of supramolecular assemblies based on electrostatic interactions. The flexibility and simplicity of constructing assemblies is explained via several examples, illustrations, figures, case studies, and historical perspectives. Moreover, as there is an increasing demand for the use of theoretical and computational models of the interaction strengths for assisting with the experimental studies, one chapter specifically focuses on the "modelling'' of supramolecular assemblies. Finally, various aspects of the recent advances of the field as well as potential future opportunities are discussed, with the goal being to stimulate critical discussions among the community and to encourage further discovery. This volume aims to inspire and guide fellow scientists and students working in this field and thus it provides a great tool for all researchers, graduates and professionals specializing on the topic.

This collection presents papers from a symposium on extraction of rare metals from primary and secondary materials and residues as well as rare extraction processing techniques used in metal production. Authors cover the extraction of less common or minor metals including elements such as antimony, bismuth, barium, beryllium, boron, calcium, chromium, gallium, germanium, hafnium, indium, manganese, molybdenum, platinum group metals, rare earth metals, rhenium, scandium, selenium, sodium, strontium, tantalum, tellurium, and tungsten. Contributions also discuss rare metals of low-tonnage sales compared to high-tonnage metals (iron, copper, nickel, lead, tin, zinc, or light metals such as aluminum, magnesium, or titanium and electronic metalloid silicon). Authors also cover biometallurgy, hydrometallurgy, and electrometallurgy while novel high-temperature processes such as microwave heating, solar-thermal reaction synthesis, and cold crucible synthesis of rare metals are addressed. Also included in this collection is the design of extraction equipment used in these processes from suppliers as well as laboratory and pilot plant studies.

This book systematically describes the design and synthesis of MOF-related materials and the electrochemical energy storage-related research in the field of batteries. It starts with an introduction to the synthesis of MOF-based materials and various MOF derivatives, such as MOF-derived porous carbon and MOF-derived metal nanoparticles. This is followed by highlighting the interesting examples for electrochemical applications, illustrating recent advances in battery, supercapacitor, and water splitting. This book is interesting and useful to a wide readership in the various fields of chemical science, materials science, and engineering.

This book summarizes and records the recent notable advances in diverse topics in organic crystal chemistry, which has made substantial progress along with the rapid development of a variety of analysis and measurement techniques for solid organic materials. This review book is one of the volumes that are published periodically on this theme. The previous volume, published in 2015, systematically summarized the remarkable progress in assorted topics of organic crystal chemistry using organic solids and organic-inorganic hybrid materials during the previous 5 years, and it has been widely read. The present volume also shows the progress of organic solid chemistry in the last 5 years, with contributions mainly by invited members of the Division of Organic Crystal Chemistry of the Chemical Society of Japan (CSJ), together with prominent invited authors from countries other than Japan.

This book provides an intuitive yet sound understanding of how structure and properties of solids may be related. The natural link is provided by the band theory approach to the electronic structure of solids. The chemically insightful concept of orbital interaction and the essential machinery of band theory are used throughout the book to build links between the crystal and electronic structure of periodic systems. In such a way, it is shown how important tools for understanding properties of solids like the density of states, the Fermi surface etc. can be qualitatively sketched and used to either understand the results of quantitative calculations or to rationalize experimental observations. Extensive use of the orbital interaction approach appears to be a very efficient way of building bridges between physically and chemically based notions to understand the structure and properties of solids.

The study of clusters is one of the most exciting topics in the rapidly developing field of nanostructured materials. As discussed in this book, nanometer-sized metal particles can be obtained not only by evaporation methods, producing atomic or molecular beams, but also by the chemical synthesis of metal cluster compounds. These have a well-defined stoichiometry and are composed of metal clusters of a given, homogeneous size, each cluster being surrounded by a shell of ligand molecules. Accordingly, the compounds provide excellent model systems for macroscopic assemblies of small metal particles embedded in a dielectric solid. The underlying physical properties are described in terms of a three-dimensional matrix of mutually separated quantum wells. In going from one compound to another, the size and separation of the quantum wells may be varied. In this way, one may study such fundamental properties as the size-induced transition from metallic to molecular behaviour. At the same time, the electronic level structure may be changed in a controlled way, which should confer tunable optical, electrical or magnetic properties.

Written by leading experts in the field, this book gives a wide-ranging and coherent treatment of water in confining geometries. This includes water in clusters, particles, films, and at surfaces and interfaces. The topics covered range from the molecular to condensed phases and involve both liquid and solid phases. Emphasis is on systems for which the extent of water is limited so that the surface/interface of the water may be critical to the properties of the system. The main sections include: theoretical studies of intermolecular interactions; neutral and ionic water clusters; solid and liquid water surfaces and interfaces; amorphous ice layers; ice and water particles; water in bio-systems; and atmospheric water.

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.

This thesis describes the synthesis and characterization of numerous metal-metal bonded complexes that are stabilized by extremely bulky amide ligands. It provides a comprehensive overview of the field, including discussions on groundbreaking complexes and reactions, before presenting in detail, exciting new findings from the PhD studies. The thesis appeals to researchers, professors and chemistry undergraduates with an interest in inorganic and/or organometallic chemistry.

This book presents Pd- and Ni-catalyzed transformations generating functionalized heterocycles. Transition metal catalysis is at the forefront of synthetic organic chemistry since it offers new and powerful methods to forge carbon-carbon bonds in high atom- and step-economy. In Chapter 1, the author describes a Pd- and Ni-catalyzed cycloisomerization of aryl iodides to alkyl iodides, known as carboiodination. In the context of the Pd-catalyzed variant, the chapter explores the production of enantioenriched carboxamides through diastereoselective Pd-catalyzed carboiodination. It then discusses Ni-catalyzed reactions to generate oxindoles and an enantioselective variant employing a dual ligand system. Chapter 2 introduces readers to a Pd-catalyzed diastereoselective anion-capture cascade. It also examines diastereoselective Pd-catalyzed aryl cyanation to synthesize alkyl nitriles, a method that generates high yields of borylated chromans as a single diastereomer, and highlights its synthetic utility. Lastly, Chapter 3 presents a Pd-catalyzed domino process harnessing carbopalladation, C-H activation and -system insertion (benzynes and alkynes) to generate spirocycles. It also describes the mechanistic studies performed on these reactions.

Some 20 years ago, I was privileged to share in writing a book on the descriptive chemistry of the 4d, 5d, 4f and 5f metals that included these eight elements within its compass (S.A. Cotton and F.A. Hart, The Heavy Transition Elements, Macmillan, 1975). This volume shares the same aim of covering the descriptive chemistry of silver, gold and the six platinum metals in some detail at a level suitable for advanced undergraduate and postgraduate study. It does not attempt to be a comprehensive treatise on the chemistry of these metals. It attempts to fill a slot between the general text and the in-depth review or monograph. The organometallic chemistry is confined to a-bonded com pounds in normal oxidation states; compounds with IT-bonding ligands are generally excluded. Their inclusion would have increased the length of the book considerably and, moreover, their recent chemistry has been extensively and expertly reviewed in the new Comprehensive Organometallic Chemistry, II, eds G. Wilkinson, F.G.A. Stone and E.W. Abel, Pergamon, Oxford, 1995."

This book highlights the state-of-the-art research and discovery in the use of MOFs in catalysis, highlighting the scope to which these novel materials have been incorporated by the community. It provides an exceptional insight into the strategies for the synthesis and functionalization of MOFs, their use as CO2 and chemical warfare agents capture, their role in bio-catalysis and applications in photocatalysis, asymmetric catalysis, nano-catalysis, etc. This book will also emphasize the challenges with previous signs of progress and way for further research, details relating to the current pioneering technology, and future perspectives with a multidisciplinary approach. Furthermore, it presents up-to-date information on the economics, toxicity, and regulations related to these novel materials.

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.

Carbon-carbon and carbon-heteroatom bond-forming reactions are the backbone of synthetic organic chemistry. Scientists are constantly developing and improving these techniques in order to maximize the diversity of synthetically available molecules. These techniques must be developed in a sustainable manner in order to limit their environmental impact. This book highlights green carbon-carbon and carbon-heteroatom bond forming reactions.

Written by the founder of the field of carbon "quantum" dots (carbon dots) and related technology, this book outlines the principles of carbon dots and presents strong evidence for that small carbon nanoparticles and by extension carbon dots represent the nanoscale carbon allotrope at zero-dimension. Historical accounts of the inception and evolution of the carbon dots field are provided. Experimental approaches and techniques for the dot synthesis and some related major issues are discussed in detail. The photoexcited state properties, especially the bright and colorful photoluminescence emissions, and photoinduced redox characteristics of carbon dots are presented, and so are their advantages over semiconductor quantum dots as well as fullerenes. Carbon dots are also compared with "graphene quantum dots", for which a unified mechanistic understanding is proposed. Finally, a broad range of applications of carbon dots and their derived hybrid nanostructures in biomedical, renewable energy, food and environmental safety, and other technologies are highlighted. The book concludes with a discussion on the excellent potential and opportunities for further research and development.

Comprehensive Supramolecular Chemistry II, Second Edition, Nine Volume Set is a ‘one-stop shop’ that covers supramolecular chemistry, a field that originated from the work of researchers in organic, inorganic and physical chemistry, with some biological influence. The original edition was structured to reflect, in part, the origin of the field. However, in the past two decades, the field has changed a great deal as reflected in this new work that covers the general principles of supramolecular chemistry and molecular recognition, experimental and computational methods in supramolecular chemistry, supramolecular receptors, dynamic supramolecular chemistry, supramolecular engineering, crystallographic (engineered) assemblies, sensors, imaging agents, devices and the latest in nanotechnology. Each section begins with an introduction by an expert in the field, who offers an initial perspective on the development of the field. Each article begins with outlining basic concepts before moving on to more advanced material.

This book provides an authoritative up-to-date summary of the chemistry and applications of polyoxometalates with emphasis on new synthetic strategies directed towards functionalized organic derivatives, self-assembly of mesoscopic composite polyoxoanions, generation of framework materials and thin oxide films, extended optical, magnetic, and electrical properties, applications in homogeneous and nanocluster-based catalysts, photocatalytic water decontamination, ribosomal crystallography, and topological aspects of large symmetrical structures.

This book offers a comprehensive review of the various options for improving the performance of overhead power lines in winter conditions, taking into account both mechanical and electrical aspects. Experience within the CIGRE community reveals many strategies to protect overhead power lines from damage caused by heavy build-up of ice and snow or electrical issues such as insulator icing flashovers. The initial approach is to consider the predicted ice loads from the available databases. This is supplemented with some fundamental aspects of icing physics that affect accretion rate as well as factors in ice shedding on traditional (metal, ceramic) and novel treated surfaces. These ice physics concepts structure the ways to categorize and evaluate methods to reduce or prevent icing on conductors and ground wires or to prevent flashover of insulators. Many utilities in cold climate regions have developed and used methods and strategies to reduce ice loads using anti-icing (AI) and / or de-icing (DI) methods. In general, AI methods are used before or early during ice build-up, while DI methods are activated during and sometimes after ice build-up. The book describes and discusses some historical, operational, or potential AI / DI systems in the ice physics context. This supports a comprehensive review of AI coatings including concepts, relevant material properties, application methods, and finally test methods for characterizing the long-term performance.

Selenium and Tellurium Reagents provides an in-depth overview of recent advances on the chemistry of these elements. Written by internationally recognized experts, it gives insight into the synthesis, structure, analysis and mechanistic studies of these compounds. The book is organized into four parts which reflect the applications of Se and Te reagents in four areas: inorganic chemistry, organic chemistry, materials science and biochemistry.

Descriptive Inorganic Chemistry, Second Edition, covers the synthesis, reactions, and properties of elements and inorganic compounds for courses in descriptive inorganic chemistry. This updated version includes expanded coverage of chemical bonding and enhanced treatment of Buckminster Fullerenes, and incorporates new industrial applications matched to key topics in the text. It is suitable for the one-semester (ACS-recommended) course or as a supplement in general chemistry courses. Ideal for majors and non-majors, the book incorporates rich graphs and diagrams to enhance the content and maximize learning.

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 that empowers readers to pursue new developments in each field. 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, from theoretical oriented supramolecular chemistry, to the quest for accurate calculations of spin states in transition metals.