Serving as a user's manual for synthetic organic and catalytic chemists, this book guides chemists in the design and choice of ligands to catalyze organic reactions and apply the results for more efficient, green, and practical synthesis. - Focuses on the role of ligands in metal complexes that catalyze green organic transformations: a hot topic in the area of organic synthesis and green chemistry - Offers a comprehensive resource to help readers design and choose ligands and understand selectivity/reactivity characteristics - Addresses a gap by taking novel ligand approaches and including up-to-date discussion on hydrogen transfers and reactions - Presents important industrial perspective and provides rational explanations of ligand effects, impacts, and novelty

This book offers a comprehensive overview of different catalytic reactions applied to the activation of chemical bonds. Each of the seven chapters covers key C-X classes where carbon is combined with another element: chlorine, fluorine, nitrogen, sulfur, oxygen, hydrogen, and carbon. The first part of the book discusses homogeneous catalysis in the activation and transformation of C-Cl and C-F, highlighting their basic activation modes, cross-coupling, and intensive mechanisms. The second part of the book focuses on C-N, C-S, and C-O bonds, mentioning their catalytic pathways. Finally, C-H and C-C bonds, their activation, chemical transformations, and applicability are covered. Overall, the book presents methodologies that can be applied to the efficient synthesis of drug molecules and fine chemicals. Through their presentation, the authors show that synthetic chemistry can be done in greener ways that limit hazards and pollution.

This book proposes a novel concept for molecular recognition. In the field of asymmetric synthesis approaching the mature science, asymmetric discrimination and catalytic synthesis of chiral supramolecules still stand as unsolved problems. The extreme difficulty in asymmetric synthesis of such supramolecules may result from the mobile nature of supramolecular chirality. Here the author shows the first highly enantioselective synthesis of mechanically chiral supramolecules. In the presence of a chiral organocatalyst, a mechanically planar chiral rotaxane was obtained with p erfect enantiopurity (>99% ee) with an excellent selectivity. The dynamic and flexible recognition mode enabled asymmetric synthesis of supramolecules with conformational flexibility and mobility. The recognition mode of the catalyst is a contrast to the traditional static and rigid recognition mode of the typical conventional catalysts. The concept of dynamic molecular recognition will be adopted as a novel concept in a wide range of fields beyond the field of organic chemistry, including material chemistry, biochemistry, and medicinal chemistry.

The development of new asymmetric catalytic methods is of fundamental importance to industrial synthetic chemistry. The demand for optically pure synthetic intermediates and the drive to adopt greener methods of synthesis have stimulated a growing interest in biocatalysis as a selective and environmentally benign synthetic technique.

"Practical Biotransformations: A Beginner's Guide" provides an introduction to microbes and enzymes and demonstrates their practical applications in synthetic organic chemistry. Designed as a laboratory manual, this user-friendly guide discusses standard laboratory techniques, with appropriate advice on aspects of microbial practice and associated safety.

Topics covered include: An introduction to equipment in a biotransformations laboratoryAn overview of biocatalyst sourcesMaintenance and growth of biocatalystsExample biotransformations using commercially available microbes and enzymesBasic gene cloning and the use of 'designer' biocatalysts

This book will be a valuable resource for synthetic organic chemists with little or no experience of biochemistry or microbiology. It is the author's hope that this text will inspire readers to consider biocatalytic methods as real alternatives to traditional synthetic solutions.

This book comprises a detailed overview on the role of photocatalysts for environmental remediation, hydrogen production and carbon dioxide reduction. Effective ways to enhance the photocatalytic activity of the material via doping, hybrid material, laser light and nanocomposites have been discussed in this book. The book also further elaborates the role of metal nanoparticles, rare earth doping, sensitizers, surface oxygen vacancy, interface engineering and band gap engineering for enhancing the photocatalytic activity. An approach to recover the photocatalytic material via immobilization is also presented. This book brings to light much of the recent research in the development of such semiconductor photocatalytic systems. The book will thus be of relevance to researchers in the field of: material science, environmental science & technology, photocatalytic applications, newer methods of energy generation & conversion and industrial applications.

This book reviews the challenges and opportunities posed by flow chemistry in drug discovery, and offers a handy reference tool for medicinal chemists interested in the synthesis of biologically active compounds. Prepared by expert contributors, the respective chapters cover not only fundamental methodologies and reactions, such as the application of catalysis, especially biocatalysis and organocatalysis; and non-conventional activation techniques, from photochemistry to electrochemistry; but also the development of new process windows, processes and reactions in drug synthesis. Particular attention is given to automatization and library synthesis, which are of great importance in the pharmaceutical industry. Readers will also find coverage on selected topics of general interest, such as how flow chemistry is contributing to drug discovery R&D in developing countries, and the green character of this enabling technology, for example in the production of raw materials for the pharmaceutical industry from waste. Given its scope, the book appeals to medicinal chemistry researchers working in academia and industry alike, as well as professionals involved in scale-up and drug development.

This textbook presents a concise comparison of catalytic and biocatalytic systems outlining their catalytic properties and peculiarities. Moreover, it presents a brief introduction to the science of catalysis and attempts to unify different catalytic systems into a single, conceptually coherent structure. In fact, molecular dynamics and complexity may occur in both catalysts and biocatalysts, with many similarities in both their structural configuration and operational mechanisms. Moreover, the interactions between the different components of the catalytic system that are important in defining the overall activity, including the nature of active sites are discussed. Each chapter includes end of chapter questions supported by an online instructor solution manual. This textbook will be useful for undergraduate and graduate chemistry and biochemistry students.

This book reviews the impact of water content in lithium-ion batteries (LIBs) as well as the reactivity of anodes, cathodes and electrolytes with water and processes that provide water-resistance to materials in LIBs. Water in LIBs which were constructed with anode, cathode and organic electrolyte containing lithium salts can degrade the cell performance and seriously damage the materials present. However, because a small amount of water in cells contributes to the formation of the solid electrolyte interphase, complete removal of water from cells lowers the battery performance and increases costs due to removal of water from the battery materials. This book presents the optimal concentration of water for each battery material along with appropriate removal methods and water-scavengers which were developed recently to establish both high performance and lower costs. Moreover this book describes the development of anodes and cathodes prepared by aqueous process and aqueous LIBs in which aqueous electrolytes containing lithium salts are used as an electrolyte. This book will be useful not only for academic researchers but also for company researchers who deal with LIBs.

The study of environmental interfaces and environmental catalysis is central to finding more effective solutions to air pollution and in understanding of how pollution impacts the natural environment. Encompassing concepts, techniques, and methods, Environmental Catalysis provides a mix of theory, computation, analysis, and synthesis to support the latest applications in biocatalysis, green chemistry, environmental remediation and our understanding of the interaction of pollutants with natural systems. The book focuses on several aspects of environmental catalysis. Surface catalysis of airborne particles - including ice, trace atmospheric gases, aerosolized soot nanoparticles, and mineral dust surfaces - as well as particles in contact with ground water and their role in surface adsorption, surface catalysis, hydrolysis, dissolution, precipitation, oxidation and ozone decomposition is explored. It continues by presenting catalysis as the key technology for treating emissions and reducing waste by-products. The authors review the theory behind catalytic converters and discuss the effectiveness of several catalysts, including zeolites and nanoparticles, in treating emissions, aromatic hydrocarbons, and chemical warfare agents. They also survey the use of biocatalysis in environmental remediation, and industrial processes, particularly in the production of transportation fuels, fine chemicals, and pharmaceuticals. Then the authors explain how enzymes can remove chlorinated organics and metals and how microbes can metabolize toxic chemicals from groundwater. Lastly, they discuss the principles of green chemistry, including the use of environmentally benign solvents, biphasic catalysts, and other alternative solvents to recover and recycle catalysts based on heavy metals. With increasing ground water pollution, increasing particulates in the atmosphere, and the increasing need to remove pollutants from industrial and automotive sources, Environmental Catal

Encompassing an integrated approach to the various aspects of catalysis, covering heterogeneous, homogeneous, organo-, bio-, and computational catalysis, as well as reaction and reactor engineering on an advanced level, this textbook is ideal for graduate students with diverse backgrounds, including catalysis, engineering, and organic synthesis. The basic principles of the various fields of catalysis are introduced in a concise way, preparing the reader for the more advanced chapters. Organometallic chemistry, surface science, biochemistry, nanoscience, transport phenomena and kinetics, reactor and reaction engineering are presented, spanning from the underlying science to industrial applications. Several important case studies on industrial applications are given. It includes catalyst preparation and characterisation and explores recent developments in the understanding of catalytic mechanisms, exploring advanced techniques such as operando spectroscopy.

This book focuses on carbon dioxide and its global role in our everyday life. Starting with society's dependency on energy, it demonstrates the various sources of carbon dioxide and discusses the putative effects of its accumulation in the atmosphere and its impact on the climate. It then provides an overview of how we can reduce carbon dioxide production and reviews innovative technologies and alternative energy resources. The book closes with a perspective on how carbon dioxide can be utilized reasonably and how mimicking nature can provide us with a solution. Using simple language, this book discusses one of today's biggest challenges for the future of our planet in a way that is understandable for the general public. The authors also provide deep insights into specific issues, making the book a useful resource for researchers and students.

This volume highlights recent progress on the fundamental chemistry and mechanistic understanding of metallocofactors, with an emphasis on the major development in these areas from the perspective of bioinorganic chemistry. Metallocofactors are essential for all forms of life and include a variety of metals, such as iron, molybdenum, vanadium, and nickel. Structurally fascinating metallocofactors featuring these metals are present in many bacteria and mediate remarkable metabolic redox chemistry with small molecule substrates, including N2, CO, H2, and CO2. Current interest in understanding how these metallocofactors function at the atomic level is enormous, especially in the context of sustainably feeding and fueling our planet; if we can understand how these cofactors work, then there is the possibility to design synthetic catalysts that function similarly.

This book details zeolites, their structures and the parameters that influence their synthesis, providing a new and actual perspective of this field. Following this, the authors show different processes used to synthesize zeolites using residues, natural materials, and other eco-friendly materials such as raw powder glass, clays, aluminum cans, diatomites, rice ashes or coal ashes. Finally, this book gives the reader a wide range of different synthesis methods that they can be applied to several industrial processes.

This work revolves around the hydrogen economy and energy-storage electrochemical systems. More specifically, it investigates the possibility of using magnetron sputtering for deposition of efficient thin-film anode catalysts with low noble metal content for proton exchange membrane water electrolyzers (PEM-WEs) and unitized regenerative fuel cells (PEM-URFCs). The motivation for this research derives from the urgent need to minimize the price of such electrochemical devices should they enter the mass production. Numerous experiments were carried out, correlating the actual in-cell performance with the varying position of thin-film catalyst within the membrane electrode assembly, with the composition of high-surface support sublayer and with the chemical structure of the catalyst itself. The wide arsenal of analytical methods ranging from electrochemical impedance spectroscopy through electrochemical atomic force microscopy to photoelectron spectroscopy allowed the description of the complex phenomena behind different obtained efficiencies. Systematic optimizations led to the design of a novel PEM-WE anode thin-film iridium catalyst which performs similarly to the standard counterparts despite using just a fraction of their noble metal content. Moreover, the layer-by-layer approach resulted in the design of a Ir/TiC/Pt bi-functional anode for PEM-URFC which is able to operate in both the fuel cell and electrolyzer regime and thus helps to cut the cost of the whole conversion system even further.

The subject of bioinorganic chemistry is one of the most intellectually attractive and experimentally demanding frontiers in modern chemical science. The problems of this interdisciplinary field are some of the most fascinating at the interface of chemistry, biology, and medicine. This volume brings together world-leaders in the field of bioinorganic chemistry, interlinked with spectroscopic and computational/theoretical physical chemists, to discuss current mechanistic insights into the function of many metalloenzymes, as well as small molecule activation, the synthetic analogue approach to metalloproteins/enzymes, artificial enzymes, the therapeutic use of metal-ligand complexes and the methodologies (both experimental and theoretical) in this area of research. In this volume, the topics covered include: Small molecule activation and synthetic analogues Techniques for studying the kinetics and thermodynamics of metal-ligand exchange reactions Electron transfer, spectroscopy and theory Natural and artificial enzymes and medicinal aspects

In this book, the author focuses on exploring new organocatalytic transformations under operationally simple and environmentally friendly reaction conditions. Two new types of catalytic reactions promoted by N-heterocyclic carbenes (NHCs) are described. The oxa- and azacycle-forming reactions of sulfonylalkynols and sulfonylalkynamides are broadly considered to be a new type of activation mode in NHC chemistry, wherein the bond formation with internal O- and N-nucleophiles occurs at the -position of the propargyl sulfones with 1,2-sulfonyl migration. The resulting oxa- and azacycles are core structures in many biologically significant compounds and medicinally important agents. In addition, the book develops the chiral NHC-catalyzed kinetic resolution of -hydroxy carboxylic acid derivatives based on chiral recognition of the substrate-cocatalyst complex. In this carboxylate cocatalyst-assisted chiral acylation, the reaction rate acceleration and selectivity enhancement are interpreted in terms of the reversible complexation of the substrate and carboxylate cocatalyst, which is verified by control experiments and measured using analytical methods. The findings described here reveal a promising new aspect of not only NHC catalysis but also identifying novel catalysis systems.

This book is devoted to CO2 capture and utilization (CCU) from a green, biotechnological and economic perspective, and presents the potential of, and the bottlenecks and breakthroughs in converting a stable molecule such as CO2 into specialty chemicals and materials or energy-rich compounds. The use of renewable energy (solar, wind, geothermal, hydro) and non-fossil hydrogen is a must for converting large volumes of CO2 into energy products, and as such, the authors explore and compare the availability of hydrogen from water using these sources with that using oil or methane. Divided into 13 chapters, the book offers an analysis of the conditions under which CO2 utilization is possible, and discusses CO2 capture from concentrated sources and the atmosphere. It also analyzes the technological (non-chemical) uses of CO2, carbonation of basic minerals and industrial sludge, and the microbial-catalytic-electrochemical-photoelectrochemical-plasma conversion of CO2 into chemicals and energy products. Further, the book provides examples of advanced bioelectrochemical syntheses and RuBisCO engineering, as well as a techno-energetic and economic analysis of CCU. Written by leading international experts, this book offers a unique perspective on the potential of the various technologies discussed, and a vision for a sustainable future. Intended for graduates with a good understanding of chemistry, catalysis, biotechnology, electrochemistry and photochemistry, it particularly appeals to researchers (in academia and industry) and university teachers.

This book presents a detailed analysis of Power-to-Gas, a promising energy storage technology. It discusses the main mechanisms involved, and presents two Power-to-Gas and carbon capture hybridizations. The book begins by providing an introduction to energy storage technologies. It then reviews a number of Power-to-Gas projects now in progress, highlighting the current barriers to commercializing the technology. Moreover, the book presents two novel Power-to-Gas hybridizations, which improve the technology's applicability in terms of efficiency, utilization of resources and profitability. Given its scope, the book will be of interest to graduate students, researchers and practitioners in the fields of engineering and energy.

This book introduces readers to industrially important enzymes and discusses in detail their structures and functions, as well as their manifold applications. Due to their selective biocatalytic capabilities, enzymes are used in a broad range of industries and processes. The book highlights selected enzymes and their applications in agriculture, food processing and discoloration, as well as their role in biomedicine. In turn, it discusses biochemical engineering strategies such as enzyme immobilization, metabolic engineering, and cross-linkage of enzyme aggregates, and critically weighs their pros and cons. Offering a wealth of information, and stimulating further research by presenting new concepts on enzymatic catalytic functions in basic and applied contexts, the book represents a valuable asset for researchers from academia and industry who are engaged in biochemical engineering, microbiology and biotechnology.

As 2019 has been declared the International Year of the Periodic Table, it is appropriate that Structure and Bonding marks this anniversary with two special volumes. In 1869 Dmitri Ivanovitch Mendeleev first proposed his periodic table of the elements. He is given the major credit for proposing the conceptual framework used by chemists to systematically inter-relate the chemical properties of the elements. However, the concept of periodicity evolved in distinct stages and was the culmination of work by other chemists over several decades. For example, Newland's Law of Octaves marked an important step in the evolution of the periodic system since it represented the first clear statement that the properties of the elements repeated after intervals of 8. Mendeleev's predictions demonstrated in an impressive manner how the periodic table could be used to predict the occurrence and properties of new elements. Not all of his many predictions proved to be valid, but the discovery of scandium, gallium and germanium represented sufficient vindication of its utility and they cemented its enduring influence. Mendeleev's periodic table was based on the atomic weights of the elements and it was another 50 years before Moseley established that it was the atomic number of the elements, that was the fundamental parameter and this led to the prediction of further elements. Some have suggested that the periodic table is one of the most fruitful ideas in modern science and that it is comparable to Darwin's theory of evolution by natural selection, proposed at approximately the same time. There is no doubt that the periodic table occupies a central position in chemistry. In its modern form it is reproduced in most undergraduate inorganic textbooks and is present in almost every chemistry lecture room and classroom. This first volume provides chemists with an account of the historical development of the Periodic Table and an overview of how the Periodic Table has evolved over the last 150 years. It also illustrates how it has guided the research programmes of some distinguished chemists.

As 2019 has been declared the International Year of the Periodic Table, it is appropriate that Structure and Bonding marks this anniversary with two special volumes. In 1869 Dmitri Ivanovitch Mendeleev first proposed his periodic table of the elements. He is given the major credit for proposing the conceptual framework used by chemists to systematically inter-relate the chemical properties of the elements. However, the concept of periodicity evolved in distinct stages and was the culmination of work by other chemists over several decades. For example, Newland's Law of Octaves marked an important step in the evolution of the periodic system since it represented the first clear statement that the properties of the elements repeated after intervals of 8. Mendeleev's predictions demonstrated in an impressive manner how the periodic table could be used to predict the occurrence and properties of new elements. Not all of his many predictions proved to be valid, but the discovery of scandium, gallium and germanium represented sufficient vindication of its utility and they cemented its enduring influence. Mendeleev's periodic table was based on the atomic weights of the elements and it was another 50 years before Moseley established that it was the atomic number of the elements, that was the fundamental parameter and this led to the prediction of further elements. Some have suggested that the periodic table is one of the most fruitful ideas in modern science and that it is comparable to Darwin's theory of evolution by natural selection, proposed at approximately the same time. There is no doubt that the periodic table occupies a central position in chemistry. In its modern form it is reproduced in most undergraduate inorganic textbooks and is present in almost every chemistry lecture room and classroom. This second volume provides chemists with an overview of the important role played by the Periodic Table in advancing our knowledge of solid state and bioinorganic chemistry. It also illustrates how it has been used to fine-tune the properties of compounds which have found commercial applications in catalysis, electronics, ceramics and in medicinal chemistry.

Christian Knittl-Frank reports on the development of a novel synthetic route to the naturally occurring polyhydroxylated oleanane, hederagonic acid. Polyhydroxylated oleananes are a vast family of naturally occurring triterpenoids with versatile biological activities. A low commercial availability combined with high prices make these molecules interesting targets in natural product synthesis. The developed synthetic approach starts from oleanolic acid, a cheap material that is commercially available in bulk quantities. It features several multi-step one-pot reactions, allowing a minimization of the number of steps and reducing the preparative effort. Importantly, catalytic C-H functionalization was achieved at unusually low temperatures. Hederagonic acid was thus prepared in as little as four steps, resulting in the shortest semisynthesis of this oleanane to date. The Author Christian Knittl-Frank is currently pursuing his PhD studies, focusing on natural product synthesis and synthetic methodology, at the Department of Organic Chemistry, University of Vienna, Austria. He is part of the MolTag doctoral program that aims to development new molecular drugs targeting ion channels.

This book covers whole aspects of the sulfur isologues of amides. Starting from the synthetic methods of thioamides, a range of synthetic applications to the construction of carbon-sulfur and carbon-carbon bonds, to asymmetric reactions, to formation of heterocycles are described. Among the array of thiocarbonyl compounds, thioamides are readily handled in room temperature air. Some of their characteristic features are that the polarity of C=S bonds in thioamides is much smaller than C=O bonds in ordinary amides, that thioamides possess higher HOMO and lower LUMO when compared with those of ordinary amides, and that carbon atoms alpha to the C=S and nitrogen atoms in thioamides are more acidic than those in ordinary amides. Theoretical studies further disclose their features. Thioamides are also used as ligands to a wide variety of metals. Their unique photophysical properties and catalytic activities are described here. Characteristic features of biologically relevant thioamides, e.g., thiopeptides and related compounds, are the final focus of the book.

This volume dedicated to the memory of Marcel Sergent who was a leader in this field for many years, addresses past achievements and recent developments in this vibrant area of research. Large classes of ligated transition metal clusters are produced either exclusively or most reliably by means of high-temperature solid-state reactions. Among them, the Chevrel-Sergent phases and related materials have generated enormous interest since their discovery in 1971. Today, these materials and their numerous derivatives still constitute a vivid area of research finding some applications not only in superconductivity, but also in catalysis, optics or thermoelectricity to mention a few.

The use of organocatalysts able to photocatalyze an organic reaction is a rapidly growing field. These photocatalyzed transformations are more environmentally sustainable with respect to the use of expensive/toxic metal-based (photo)catalysts.Based on the authors' extensive experience in photogenerated intermediates, this book presents an overview on photocatalyzed organic processes having a synthetic significance, where an organic molecule functions as the photocatalyst.After a brief introduction defining the nature and the characteristics of a photoorganocatalyst (POC), the chapters are organized according to the class of POC used, as detailed below.Each chapter begins with a summary of the photophysical characteristics of the POCs and is followed by selected examples of synthetic applications. The last two chapters are devoted to the adoption of photoorganocatalysis in polymerization and to flow photoorganocatalysis. These in-depth explanations and practical applications make this title an essential reading for any chemistry student interested in organic (sustainable) synthesis.