This book aims to introduce the basic concepts involved in industrial catalytic processes. It is profusely illustrated with experimental results with the main objective of guiding how to select a suitable catalyst for specific processes. The book is divided in two parts. In the first part the basic concepts are addressed, regarding the existing theories, activity patterns and adsorption-desorption phenomena. In the second part the key experimental methods for the physicochemical characterization of catalysts are presented, as well as the currently used catalyst pre and post treatments. The last chapter describes some important in situ characterization techniques (e.g. XPS and TEM) and surface model patterns related to surface modifications occurring during the reaction. Thoroughly illustrated with microscopy images, spectroscopy data and schematics of reaction mechanisms, the book provides a powerful learning tool for students in undergraduate and graduate level courses on the field of catalysis. Exercises and resolved problems are provided, as well as experimental procedures to support laboratory classes. Furthermore, the content is presented in a carefully chosen sequence, reflecting the 30 year teaching experience of the author. The author, Professor Martin Schmal, sees the present book as a way of conveying basic knowledge needed for the development of more efficient catalysts (i.e. nanostructured materials) and novel industrial chemical processes in the fields of environmental chemistry, fine chemistry, hydrotreating of heavy oils, hydrogen production and biomass processing.

Over the last decade, the area of homogeneous catalysis with transition metal has grown in great scientific interest and technological promise, with research in this area earning three Nobel Prizes and filing thousands of patents relating to metallocene and non-metallocene single site catalysts, asymmetric catalysis, carbon-carbon bond forming metathesis and cross coupling reactions. This text explains these new developments in a unified, cogent, and comprehensible manner while also detailing earlier discoveries and the fundamentals of homogeneous catalysis. Serving as a self-study guide for students and all chemists seeking to gain entry into this field, it can also be used by experienced researchers from both academia and industry for referring to leading state of the art review articles and patents, and also as a quick self-study manual in an area that is outside their immediate expertise. The book features: Topics including renewable feed stocks (biofuel, glycerol), carbon dioxide based processes (polycarbonates), fluorous solvents, ionic liquid, hydroformylation, polymerization, oxidation, asymmetric catalysis, and more Basic principles of organometallic chemistry, homogeneous catalysis, and relevant technological issues Problems and answers, industrial applications (case studies), and examples from proven industrial processes with clear discussions on environmental and techno-commercial issues Extensive references to cutting edge research with application potential and leading patents Tables and illustrations to help explain difficult concepts

This book presents comprehensive chapters on the latest research and applications in wastewater treatment using green technologies. Topics include mesoporous materials, TiO2 nanocomposites and magnetic nanoparticles, the role of catalysts, treatment methods such as photo-Fenton, photocatalysis, electrochemistry and adsorption, and anti-bacterial solutions. This book will be useful for chemical engineers, environmental scientists, analytical chemists, materials scientists and researchers.

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.

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 begins by giving a summary of sonochemistry and explains how a chemical reaction can be induced by the interaction of sound waves and gas bubbles in liquids. The work outlines how primary and secondary radicals combined with the physical effects generated during acoustic cavitation are active in the ultrasonic synthesis of a variety of functional materials. The brief covers hot topics that include ultrasonic synthesis of various functional materials covering the following broad areas: acoustic cavitation and sonochemistry, synthesis of functional polymers and their applications, synthesis of functional inorganic materials and their applications, improving functionality of food/dairy systems, synthesis of functional biomaterials and their applications, synthesis of graphene based catalytic materials. Theory is kept to a minimum. The book is aimed at individuals at universities and will also interest those in industry. It is suitable for all levels.

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

This book presents a range of nanocatalysts, together with their primary environmental applications and use in chemical production processes. In addition, it describes the nanomaterials used for catalysts and details their performance. The book introduces readers to the fundamentals and applications of nanocatalysis, synthesis, characterization, modification and application. Further topics include: landfill organic pollutant photodegradation; magnetic photocatalysis; synergistic effects on hydrogenated TiO2; and photoinduced fusion of gold-semiconductor nanoparticles. A detailed explanation of the chemistry of nanostructures and the ability to control materials at the nano-scale rounds out the coverage. Given the central importance of research in nanotechnology and nanoscience for the development of new catalysts, the book offers a valuable source of information for researchers and academics alike. It will also benefit industrial engineers and production managers who wish to understand the environmental impact of nanocatalysts.

This book presents a detailed history of chemical warfare development during the First World War and discusses design approaches to gas masks and the performance of new filter materials that decontaminate chemical warfare agents (CWA) when applied in the vapor phase. It describes multifunctional nanocomposites containing zinc and zirconium (hydr)oxides, graphite oxide and silver or gold nanoparticles as reactive adsorbents for the degradation of the CWAs vapors. In addition it examines in detail the surface properties that are most important in the mineralization performance.

The series Topics in Heterocyclic Chemistry presents critical reviews on present and future trends in the research of heterocyclic compounds. Overall the scope is to cover topics dealing with all areas within heterocyclic chemistry, both experimental and theoretical, of interest to the general heterocyclic chemistry community. The series consists of topic related volumes edited by renowned editors with contributions of experts in the field. All chapters from Topics in Heterocyclic Chemistry are published Online First with an individual DOI. In references, Topics in Heterocyclic Chemistry is abbreviated as Top Heterocycl Chem and cited as a journal.

This volume describes the recent developments in the free-radical mediated synthesis and elaboration of heterocycles. The first chapter, dealing with radical cascade processes illustrates the power and the beauty of radical chemistry with some striking examples of total synthesis of complex natural heterocycles. As organic chemists strive towards sustainability, radical chemistry has recently seen major advances and efforts in this direction, including C-H activation of arenes and unactivated alkyl groups. Photochemical activation, for a long time the preferred mode of activation in radical chemistry has also seen an unexpected revival with the advent of visible light metal- and organocatalyzed photoredox processes. A survey of these emerging areas is provided along with the concepts at the origin of these developments. The venerable Minisci reaction allows for direct access to functionalized heterocycles. This process has lately seen an interesting renaissance and is discussed in this volume. Addition of heteroatom-centered radicals onto unsaturated systems constitutes another powerful method to construct heterocycles. Examples of such a strategy are proposed along with the formation of various heterocycles relying on homolytic substitution at sulfur, phosphorus and selenium. Additionally free-radical functionalization of reactive functional groups including isonitriles, isothiocyanates and related unsaturated systems which offer a straightforward route towards useful aromatic and non-aromatic heterocycles are discussed. Finally, as metals are able to trigger single electron transfer both in reductive and oxidative modes this provides another possibility for the synthesis of heterocycles. Significant research efforts have focused on the use of samarium, copper and other metals to access a broad variety of heterocycles in a single pot process, starting from readily available raw material. Examples and mechanistic insights are discussed by experts in this area.

The principal aim of this book is to introduce chemists through a tutorial approach to the use of microwaves by examining several experiments of microwave chemistry and materials processing. It will subsequently enable chemists to fashion their own experiments in microwave chemistry or materials processing. Microwave heating has become a popular methodology in introducing thermal energy in chemical reactions and material processing in laboratory-scale experiments. Several research cases where microwave heating has been used in a wide range of fields have been reported, including organic synthesis, polymers, nanomaterials, biomaterials, and ceramic sintering, among others. In most cases, microwave equipment is used as a simple heat source. Therefore the principal benefits of microwave radiation have seldom been taken advantage of. One reason is the necessity to understand the nature of electromagnetism, microwave engineering, and thermodynamics. However, it is difficult for a chemist to appreciate these in a short time, so they act as barriers for the chemist who might take an interest in the use of microwave radiation. This book helps to overcome these barriers by using figures and diagrams instead of equations as much as possible.

This volume provides an overview of recent developments and scope in the use of flow chemistry in relevance to heterocyclic synthesis. The heterocyclic ring is the most prominent structural motif in the vast majority of natural products as well as pharmaceutical compounds since this facilitates tuneable interactions with the biological target besides conferring a degree of structural and metabolic stability. In recent times, flow chemistry has heralded a paradigm shift in organic synthesis as it offers several unique advantages over conventional methods like drastic acceleration of sluggish transformations, enhanced yields, cleaner reactions etc and is gradually gaining a lot of attention among organic chemist worldwide. Given the importance of heterocycles in natural products, medicinal chemistry and pharmaceuticals, this is a well warranted volume and complements the previous volume of Topics in Organometallic Chemistry 'Organometallic Flow Chemistry'. This volume offers a versatile overview of the topic, besides discussing the recent progress in the flourishing area of flow chemistry in relevance to heterocyclic chemistry; it will also help researchers to better understand the chemistry behind these reactions. This in turn provides a platform for future innovations towards the designing of novel transformations under continuous flow. Thus, this volume will appeal to both the novices in this field as well as to experts in academia and industry.

This book introduces the reader to the state of the art in nanostructured anode and cathode electrocatalysts for low-temperature acid and alkaline fuel cells. It explores the electrocatalysis of anode (oxidation of organic molecules) and cathode (oxygen reduction) reactions. It also offers insights into metal-carbon interactions, correlating them with the catalytic activity of the electrochemical reactions. The book explores the electrocatalytic behaviour of materials based on noble metals and their alloys, as well as metal-metal oxides and metal-free nanostructures. It also discusses the surface and structural modification of carbon supports to enhance the catalytic activity of electrocatalysts for fuel-cell reactions.

This volume reviews the drinking water treatments in which AOPs display a high application potential. Firstly it reveals the typical supply sources and limitations of conventional technologies and critically reviews natural organic matter characterization and removal techniques, focusing mainly on AOP treatments. It then explores using AOPs for simultaneous inactivation/disinfection of several types of microorganisms, including highly resistant Cryptosporidium protozoa. Lastly, it discusses relevant miscellaneous topics, like the most promising AOP solid catalysts, the regime change of Fenton-like processes toward continuous reactors, the application of chemometrics for process optimization, the impact on disinfection byproducts and the tracing of toxicity during AOP treatments. This work is a useful reference for researchers and students involved in water technologies, including analytical and environmental chemistry, chemical and environmental engineering, toxicology, biotechnology, and related fields. It is intended to encourage industrial and public-health scientists and decision-makers to accelerate the application of AOPs as technological alternatives for the improvement of drinking water treatment plants.

This thesis discusses the use of asymmetric organic catalysis for the direct enantioselective synthesis of complex chiral molecules, and by addressing the many aspects of both vinylogy and atropisomerism, it appeals to researchers and scholars interested in both areas. Organocatalysis is a relatively modern and "hot" topic in the chemical community; it is constantly expanding and its use has been extended to interesting areas like vinylogous reactivity and atropisomerism. Vinylogous systems are very important for their synthetic applications but also pose a number of challenges, the most notable of which are their reduced reactivity and the reduced stereocontrol at these positions. On the other hand, atropisomeric systems are even more important because of the huge potential they have as drugs, ligands and catalysts. Chemists have only recently "recognized" the importance of these two areas and are focusing their efforts on studying them and the challenges they pose. This thesis offers an extensive introduction on the general aspects of chirality and organocatalysis and an equally extensive experimental section that allow nonexperts to understand the discussion section and reproduce the experiments.

This book presents recent advances in and perspectives on the use of organoselenium compounds, primarily highlighting the new frontiers in the field of Green Chemistry, their therapeutic and biological relevance and new materials. Throughout its 200 pages, readers will find an updated and comprehensive review of new aspects of organoselenium chemistry and biochemistry. Fully referenced and written in an easy to read style, it offers readers a primary resource for including organoselenium derivatives in their projects. This book will be of interest to specialists, students and researchers involved in a broad range of fields, from synthetic green chemistry to medicinal chemistry and the chemistry of natural products. The connection between organoselenium compounds and green chemistry, despite having only recently emerged, is one of the subjects of this book. The first chapter highlights the use of Se-containing molecules as reagents and catalysts in new green protocols to access important organic transformations. The book provides a wealth of examples of bioactive Se-containing molecules, especially focusing on those with potential therapeutic uses. The second chapter focuses on the state of the art concerning the role of organoselenium compounds as antioxidants, GPx mimics, and derivatives endowed with different bioactive properties. "Organoselenium in nature" is the title of the third chapter, which equips readers with essential information on the main natural organoselenium compounds and where they are found. Selected aspects of the metabolism of selenium in plants and microorganisms are also discussed. In closing, the book includes a chapter dedicated to recent advances concerning the nonbonding interactions between organochalcogen compounds. This is currently a hot topic in selenium chemistry and biochemistry, and here readers will find key insights into the chalcogen bond and its role in the biological activity of organoselenium compounds.

This book addresses electrocatalysis based on chalcogenides, particularly in the nanoscale domain. Special attention is paid to the hydrogen evolution reaction (HER) and the oxygen reduction reaction (ORR). The book provides an introduction to materials synthesis; the basic principles of electrocatalysis; related precious metal versus non-precious metal catalytic center chalcogenides as well as supports; and the role of such supports in stabilizing the catalytic centers. In short: pursuing a bottom-up approach, it covers the properties of this class of electrocatalysts and examines their applications in low-temperature fuel systems such as microfluidic fuel cells for portable devices. Accordingly, it is ideally suited for all professionals and researchers interested in electrochemistry, renewable energy and electrocatalysis, and non-precious metal centers for chemical energy conversion.

This book investigates the use of palladium modified by bulky ligands as catalysts for new chemical transformations that rapidly assemble several classes of complex heterocyles. It documents the development of new chemical reactions involving carbon-carbon (C-C) and carbon-halogen (C-X) bond formation in the context of alkene difunctionalization and dearomatization reactions. Due to the ubiquity of heterocycles in bioactive natural products and life-improving pharmaceutical treatments, a long-term goal for synthetic organic chemists has been to develop novel and creative heterocycle syntheses that illicit a high degree of product diversity and are characterized by mild reaction conditions and limited waste production. A considerable fraction of leading pharmaceutical drugs contain at least one heterocycle within their chemical structure, and their prevalence in these technologies is strong evidence that the fundamental curiosities of organic chemistry lead to real-world solutions for the health and wellness of the global population.

This thesis systematically introduces readers to a new metal-organic framework approach to fabricating nanostructured materials for electrochemical applications. Based on the metal-organic framework (MOF) approach, it also demonstrates the latest ideas on how to create optimal MOF and MOF-derived nanomaterials for electrochemical reactions under controlled conditions. The thesis offers a valuable resource for researchers who want to understand electrochemical reactions at nanoscale and optimize materials from rational design to achieve enhanced electrochemical performance. It also serves as a useful reference guide to fundamental research on advanced electrochemical energy storage materials and the synthesis of nanostructured materials.

The series Topics in Organometallic Chemistry presents critical overviews of research results in organometallic chemistry. As our understanding of organometallic structure, properties and mechanisms increases, new ways are opened for the design of organometallic compounds and reactions tailored to the needs of such diverse areas as organic synthesis, medical research, biology and materials science. Thus the scope of coverage includes a broad range of topics of pure and applied organometallic chemistry, where new breakthroughs are being achieved that are of significance to a larger scientific audience. The individual volumes of Topics in Organometallic Chemistry are thematic. Review articles are generally invited by the volume editors. All chapters from Topics in Organometallic Chemistry are published OnlineFirst with an individual DOI. In references, Topics in Organometallic Chemistry is abbrev iated as Top Organomet Chem and cited as a journal.

This book provides a review of the latest advances in anion exchange membrane fuel cells. Starting with an introduction to the field, it then examines the chemistry and catalysis involved in this energy technology. It also includes an introduction to the mathematical modelling of these fuel cells before discussing the system design and performance of real-world systems. Anion exchange membrane fuel cells are an emerging energy technology that has the potential to overcome many of the obstacles of proton exchange membrane fuel cells in terms of the cost, stability, and durability of materials. The book is an essential reference resource for professionals, researchers, and policymakers around the globe working in academia, industry, and government.

This thesis presents detailed mechanistic studies on a series of important C-H activation reactions using combined computational methods and mass spectrometry experiments. It also provides guidance on the design and improvement of catalysts and ligands. The reactions investigated include: (i) a nitrile-containing template-assisted meta-selective C-H activation, (ii) Pd/mono-N-protected amino acid (MPAA) catalyzed meta-selective C-H activation, (iii) Pd/MPAA catalyzed asymmetric C-H activation reactions, and (iv) Cu-catalyzed sp3 C-H cross-dehydrogenative-coupling reaction. The book reports on a novel dimeric Pd-M (M = Pd or Ag) model for reaction (i), which successfully explains the meta-selectivity observed experimentally. For reaction (ii), with a combined DFT/MS method, the author successfully reveals the roles of MPAA ligands and a new C-H activation mechanism, which accounts for the improved reactivity and high meta-selectivity and opens new avenues for ligand design. She subsequently applies ion-mobility mass spectrometry to capture and separate the [Pd(MPAA)(substrate)] complex at different stages for the first time, providing support for the internal-base model for reaction (iii). Employing DFT studies, she then establishes a chirality relay model that can be widely applied to MPAA-assisted asymmetric C-H activation reactions. Lastly, for reaction (iv) the author conducts detailed computational studies on several plausible pathways for Cu/O2 and Cu/TBHP systems and finds a reliable method for calculating the single electron transfer (SET) process on the basis of benchmark studies.

This book provides microscopic insights into chemical properties of NO on metal surfaces. NO/metal systems have been studied intensively to understand heterogeneous catalysis to detox exhaust NOx gas. The identification and componential analysis of various and mixed chemical species of NO adsorbed onto the surfaces have been significant challenges faced by conventional experimental techniques, such as vibrational spectroscopies. The author investigated "individual" NO molecules on Cu surfaces using low-temperature scanning tunneling microscopy (STM). STM not only provides information on the geometric, electronic, and vibrational properties at the single-molecule level; it is also able to manipulate molecules on surfaces to induce chemical reaction. Exploiting those techniques, the author chemically identified individual NO-related species on the surfaces and discovered new reaction processes for NO reduction, which provides microscopic insights into the catalytic mechanisms. The author also visualized wave functions of electrons in a valence orbital of NO and demonstrated that the wave functions are modified by the formation of covalent bonding or hydrogen bonding. This is, namely, "the visualization of quantum mechanics in real space," which is certainly worth reading. Furthermore, the book demonstrates that direct observation of valence orbitals helps to elucidate the reactivity of molecules adsorbed onto surfaces. This innovative approach to studying molecular properties will contribute to further development of STM and its related methods.

This book describes state-of-the-art borylation chemistry using copper(I) catalysis. Enantioselective reactions are included to afford a variety of functionalized, complex organoboronate esters, which will find wide application in asymmetric synthesis, drug discovery, and material science. Organoboron compounds are recognized as useful reagents in organic synthesis; therefore, great effort has been devoted to the development of a simple, mild, and efficient method for their preparation in the past several years. However, the synthesis of functionalized organoboron compounds remains a challenging issue because known reactions often require the use of highly reactive organometallic carbon nucleophiles. This book focuses on conceptually new, formal nucleophilic copper(I)-catalyzed borylation reactions with diboron compounds that show high selectivity and excellent functional group compatibility. Theoretical studies based on density functional theory calculations to understand the reaction mechanisms have also been described. Advances in this novel borylation chemistry will allow the rapid and efficient synthesis of complex molecules with potentially interesting properties in combination with the boron functionalization process.