Ana Escribano Cuesta's thesis presents a detailed study of the inter- and intramolecular reactions of carbonyl compounds with 1,6 -enynes using gold (I) complexes. An important part of the work involved streamlining the variables that allow the selective synthesis of different products such as tricyclic compounds, dihydropyrans, 1,3-dienes or cyclobutenes. The second chapter highlights the importance and difficulties in synthesising a cyclobutene subunit and the author includes a detailed description of how the products were prepared. The final chapter outlines the synthesis of lundurines using methodology developed by the author's research group for intramolecular gold-catalyzed cyclization of indoles with alkynes. The lundurine products developed in this work show significant in vitro cytoxicity toward B16 melanoma cells. The work in this thesis has led to a number of publications in high- profile chemistry journals.

Electrocatalysis applications are employed in a large number of industries worldwide, ranging from old technologies such as galvanoplasty to the most up-to-date deployments involving ultracapacitators. Recognizing electrocatalysis as a useful interfacial approach to a dynamic interdisciplinary science, Electrocatalysis: Computational, Experimental, and Industrial Aspects focuses on important developments in the field that are the most relevant to new technologies. Gathering the experiences of a collection of experts who have worked on the basic principles of electrocatalysis as it applies to theoretical physics and theoretical chemistry, the book gives readers a clear view of the problems inside electrocatalytic reactions, presenting both the limitations of electrocatalysis in the laboratory along with its possibilities in industry. Topics discussed include: The current uses of electrocatalysis Future perspectives on the field Surface physical properties and surface relaxation on noble and non-noble surfaces The quantum nature of the electron transfer Muller-Calandra, Srinivasan-Gileadi, and instantaneous nucleation-growth overlap models The production, storage, use, and delivery of hydrogen in industrial electrochemistry Theoretical approaches to current distribution on rough surfaces The use of microradiology to study electrodeposition Principles of electrochemical engineering, fuel cell reactors, and electrocatalytic reactor design Electrocatalysis of electroless plating Fundamental aspects of the corrosion of metals The book reviews four main electrochemical processes (hydrogen production, oxygen electrochemistry, energy conversion/production, and fine electroplating). Surface modified non-noble metal substrates and natural minerals as well as noble

This book is an enthusiastic account of Pierre Laszlo's life and pioneering work on catalysis of organic reactions by modified clays, and his reflections on doing science from the 1960s to 1990s. In this autobiography, readers will discover a first-hand testimony of the chemical revolution in the second half of the 20th century, and the author's perspective on finding a calling in science and chemistry, as well as his own experience on doing science, teaching science and managing a scientific career. During this period, Pierre Laszlo led an academic laboratory and worked also in three different countries: the US, Belgium and France, where he had the opportunity to meet remarkable colleagues. In this book, he recalls his encounters and collaborations with important scientists, who shaped the nature of chemistry at times of increased pace of change, and collates a portrait of the worldwide scientific community at that time. In addition, the author tells us about the turns and twists of his own life, and how he ended up focusing his research on clay based chemistry, where clay minerals were turned in his lab to catalysis of key chemical transformations. Given its breath, the book offers a genuine information on the life and career of a chemist, and it will appeal not only to scientists and students, but also to historians of science and to the general reader.

The book illuminates various aspects of heterogeneous catalysis engineering, from catalysis design, catalyst preparation and characterization, reaction kinetics, mass transfer, and catalytic reactors to the implementation of catalysts in chemical technology. Aimed at graduate students, it is also a useful resource for professionals working in research and development.

This handbook is a valuable resource for scientists, engineers, graduate students, managers, decision makers, and those who are interested in ionic liquids. Many industrial applications rely on the use of Ionic Liquid Mixtures, as in solar energy storage, waste recycling or batteries.Physicochemical Properties of Ionic Liquid Mixtures is a useful handbook that contains the following features: - the physicochemical properties and property models of mixtures containing ionic liquids - supplemented by a comprehensive database of properties listing ionic liquid systems collected from more than 800 dependable literature sources - over 60,000 data entries on 39 types of physicochemical properties for 1388 mixtures, including binary, ternary, quaternary and other mixtures.

As a companion to the undergraduate textbook "Physical Chemistry from a Different Angle", this workbook offers an excellent opportunity to deepen the understanding of the concepts presented in the textbook by addressing specific problems. The workbook is divided into two parts: a first part with nearly 200 exercises and a second part providing the corresponding detailed solutions with helpful comments, enabling students to learn independently.

This book provides a comprehensive overview of the chemistry of CO2 in relation to surface interactions and photocatalytic transformation by UV radiation. The first part deals with the modelling of an anatase surface, its interaction with CO2, and the spontaneous exchange of oxygen atoms between the gas and solid phases. The book then naturally transitions to the photocatalytic reduction of CO2, achieved by adding UV radiation and traces of water to the experimental system, to produce methane and CO. This photocatalytic reduction is explained in detail and the implications for planetary chemistry (specifically concerning Mars), as well as Earth's atmospheric chemistry and global warming, are discussed.

Hannah Minges focuses on the investigation of two different FAD-dependent halogenases in order to analyze and improve their applicability for chemoenzymatic approaches in chemistry. Owing to beneficial features, like high selectivity and benign reaction conditions, nature's toolkit for halogenation provides several advantages, whereas conventional chemical strategies require hazardous reagents and suffer from low selectivity. Therefore, enzymatic halogenation arises as promising alternative in the synthesis of valuable chemicals. One project focuses on the generation of a thermostable variant of the tryptophan halogenase Thal by means of directed evolution. The second project deals with the investigation of the marine halogenase Bmp5. This enzyme is of synthetic interest because it preferably introduces bromine into phenol compounds, whereas chlorination cannot take place.

Chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the purview of Structure and Bonding to the extent that the focus is on the scientific results obtained and not on specialist information concerning the techniques themselves. Issues associated with the development of bonding models and generalizations that illuminate the reactivity pathways and rates of chemical processes are also relevant. The individual volumes in the series are thematic. The goal of each volume is to give the reader, whether at a university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to a larger scientific audience. Thus each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years should be presented using selected examples to illustrate the principles discussed. A description of the physical basis of the experimental techniques that have been used to provide the primary data may also be appropriate, if it has not been covered in detail elsewhere. The coverage need not be exhaustive in data, but should rather be conceptual, concentrating on the new principles being developed that will allow the reader, who is not a specialist in the area covered, to understand the data presented. Discussion of possible future research directions in the area is welcomed. Review articles for the individual volumes are invited by the volume editors

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 abbreviated as Top Organomet Chem and cited as a journal

The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students.

Troy Townsend's thesis explores the structure, energetics and activity of three inorganic nanocrystal photocatalysts. The goal of this work is to investigate the potential of metal oxide nanocrystals for application in photocatalytic water splitting, which could one day provide us with clean hydrogen fuel derived from water and solar energy. Specifically, Townsend's work addresses the effects of co-catalyst addition to niobium oxide nanotubes for photocatalytic water reduction to hydrogen, and the first use of iron oxide 'rust' in nanocrystal suspensions for oxygen production. In addition, Townsend studies a nickel/oxide-strontium titanate nanocomposite which can be described as one of only four nanoscale water splitting photocatalysts. He also examines the charge transport for this system. Overall, this collection of studies brings relevance to the design of inorganic nanomaterials for photocatalytic water splitting while introducing new directions for solar energy conversion.

Using an in situ transmission electron microscopy (TEM) approach to investigate the growth mechanism of carbon nanotubes (CNTs) as well as the fabrication and properties of CNT-clamped metal atomic chains (MACs) is the focus of the research summarized in this thesis. The application of an in situ TEM approach in the above-mentioned research provides not only real-time observation but also monitored machining and structural evolvement at the atomic level. In this thesis, the author introduces a CNT tubular nano furnace that can be operated under TEM for investigation of the CNT nucleation mechanism. By studying the nucleation process of CNTs in the presence of various catalysts, including iron-based metallic catalysts and silicon oxide-based non-metallic catalysts, the physical states of the catalysts as well as the nucleation and growth process of CNTs are revealed. Based on the understanding of the nucleation mechanism, the author proposes a hetero-epitaxial growth strategy of CNTs from boron nitride, which provides a new route for the controllable growth of CNTs. In addition, the author presents an electron beam-assisted nanomachining technique and the fabrication of a CNT-clamped MAC prototype device based on this technique. The formation process of CNT-clamped Fe atomic chains (ACs) can be monitored with atomic resolution. The demonstrated quantized conductance and uninfluenced half-metallic properties of Fe ACs indicate that CNTs can be promising nanoscale electrodes or interconnectors for the linking and assembly of nano and subnano structures.

This critical volume examines the different methods used for the synthesis of a great number of photocatalysts, including TiO2, ZnO and other modified semiconductors, as well as characterization techniques used for determining the optical, structural and morphological properties of the semiconducting materials. Additionally, the authors discuss photoelectrochemical methods for determining the light activity of the photocatalytic semiconductors by means of measurement of properties such as band gap energy, flat band potential and kinetics of hole and electron transfer. Photocatalytic Semiconductors: Synthesis, Characterization and Environmental Applications provide an overview of the semiconductor materials from first- to third-generation photocatalysts and their applications in wastewater treatment and water disinfection. The book further presents economic and toxicological aspects in the production and application of photocatalytic materials.

This book presents current research into the catalytic combustion of methane using perovskite-type oxides (ABO3). Catalytic combustion has been developed as a method of promoting efficient combustion with minimum pollutant formation as compared to conventional catalytic combustion. Recent theoretical and experimental studies have recommended that noble metals supported on (ABO3) with well-ordered porous networks show promising redox properties. Three-dimensionally ordered macroporous (3DOM) materials with interpenetrated and regular mesoporous systems have recently triggered enormous research activity due to their high surface areas, large pore volumes, uniform pore sizes, low cost, environmental benignity, and good chemical stability. These are all highly relevant in terms of the utilization of natural gas in light of recent catalytic innovations and technological advances. The book is of interest to all researchers active in utilization of natural gas with novel catalysts. The research covered comes from the most important industries and research centers in the field. The book serves not only as a text for researcher into catalytic combustion of methane, 3DOM perovskite mixed oxide, but also explores the field of green technologies by experts in academia and industry. This book will appeal to those interested in research on the environmental impact of combustion, materials and catalysis.

In this thesis, the focus is on the study of new catalytic properties of unsupported nanoporous metals in heterogeneous organic reactions under liquid-phase conditions. The author was the first to fabricate nanoporous copper with tunable nanoporosity and apply it for organic reactions. The catalyst can be reused up to ten times without loss of catalytic activity. In addition, the author developed the highly selective semihydrogenation of alkynes using nanoporous gold as a catalyst for the first time, affording Z-alkenes in 100% selectivity, which cannot be realized by traditional catalysts. All of the results described here will help readers to develop new catalytic performance of nanoporous metals for organic reactions.

This multi-authored book provides a comprehensive overview of the latest developments in porous CO2 capture materials, including ionic liquid-derived carbonaceous adsorbents, porous carbons, metal-organic frameworks, porous aromatic frameworks, micro porous organic polymers. It also reviews the sorption techniques such as cyclic uptake and desorption reactions and membrane separations. In each category, the design and fabrication, the comprehensive characterization, the evaluation of CO2 sorption/separation and the sorption/degradation mechanism are highlighted. In addition, the advantages and remaining challenges as well as future perspectives for each porous material are covered. This book is aimed at scientists and graduate students in such fields as separation, carbon, polymer, chemistry, material science and technology, who will use and appreciate this information source in their research. Other specialists may consult specific chapters to find the latest, authoritative reviews. Dr. An-Hui Lu is a Professor at the State Key Laboratory of Fine Chemicals, School of Chemical Engineering, Faculty of Chemical, Environmental and Biological Science and Technology, Dalian University of Technology, China. Dr. Sheng Dai is a Corporate Fellow and Group Leader in the Chemical Sciences Division at Oak Ridge National Laboratory (ORNL) and a Professor of Chemistry at the University of Tennessee, USA.

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.

This book presents nine chapters based on fundamental and applied research of alternative energies. At the present time, the challenge is that technology has to come up with solutions that can provide environmentally friendly energy supply options that are able to cover the current world energy demand. Experts around the world are working on these issues for providing new solutions that will break the existing technological barriers. This book aims to address key pillars in the alternative energy field, such as: biomass energy, hydrogen energy, solar energy, wind energy, hydroelectric power, geothermal energy and their environmental implications, with the most updated progress for each pillar. It also includes the life cycle assessment (LCA) and thermoeconomic analysis (TA) as tools for evaluating and optimising environmental and cost subjects. Chapters are organized into fundamental research, applied research and future trends; and written for engineers, academic researches and scientists.

Elucidating Organic Reaction Mechanisms using photo-CIDNP Spectroscopy, by Martin Goez. Parahydrogen Induced Polarization by Homogeneous Catalysis: Theory and Applications, by Kerstin Münnemann et al. Improving NMR and MRI Sensitivity with Parahydrogen, by R. Mewis & Simon Duckett. The Solid-state Photo-CIDNP Effect, by Jörg Matysik et al. Parahydrogen-induced Polarization in Heterogeneous Catalytic Processes, by Igor Koptyug et al. Dynamic Nuclear Polarization Enhanced NMR Spectroscopy, by U. Akbey & H. Oschkinat. Photo-CIDNP NMR Spectroscopy of Amino Acids and Proteins, by Lars T. Kuhn.

In this thesis, Andrew Logsdail demonstrates that computational chemistry is a powerful tool in contemporary nanoscience, complementing experimental observations and helping guide future experiments. The aim of this particular PhD is to further our understanding of structural and compositional preferences in gold nanoparticles, as well as the compositional and chemical ordering preferences in bimetallic nanoalloys formed with other noble metals, such as palladium and platinum. Highlights include: calculations of the structural preferences and optical-response of gold nanoparticles and gold-containing nanoalloys; the design and implementation of novel numerical algorithms for the structural characterisation of gold nanoparticles from electron microscopy images; and electronic structure calculations investigating the interaction of gold nanoparticles with graphene and graphite substrates.The results presented here have significant implications for future research on the chemical and physical properties of gold-based nanoparticles and are of interest to many researchers working on experimental and theoretical aspects of nanoscience.

Transformation and Utilization of Carbon Dioxide shows the various organic, polymeric and inorganic compounds which result from the transformation of carbon dioxide through chemical, photocatalytic, electrochemical, inorganic and biological processes. The book consists of twelve chapters demonstrating interesting examples of these reactions, depending on the types of reaction and catalyst. It also includes two chapters dealing with the utilization of carbon dioxide as a reaction promoter and presents a wide range of examples of chemistry and chemical engineering with carbon dioxide. Transformation and Utilization of Carbon Dioxide is a collective work of reviews illustrative of recent advances in the transformation and utilization of carbon dioxide. This book is interesting and useful to a wide readership in the various fields of chemical science and engineering. Bhalchandra Bhanage is a professor of industrial and engineering chemistry at Institute of Chemical Technology, India. Masahiko Arai is a professor of chemical engineering at Hokkaido University, Japan.

The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field.

In the area of organic chemistry one major challenge we are currently faced with is how to assemble potentially useful molecules in new ways that generate molecular complexity and in sequences that are as efficient as possible. Our efforts in this regard, specifically for the preparation of amino containing compounds incorporating an aromatic ring, are described in this doctoral thesis. We discovered an interesting regioselectivity in an intramolecular Heck reaction, which we studied for a series of substrates that are unbiased in terms of the size of the newly formed ring, where very high levels of selectivity in relation to the new carbon-carbon bond are typically observed. DFT calculations were performed to attempt to shed light on the reaction sequence. This regioselective Heck reaction, combined with the reductive removal of the temporary amino-protecting group, allowed us to synthesize the Sceletium alkaloids: mesembrane, mesembranol and mesembrine.

In this dissertation, Marie-Hélène Larraufie develops original radical and pallado-catalyzed methodologies to enable the synthesis of several classes of bioactive nitrogen-containing heterocycles. New radical cascades employing the N-acylcyanamide moiety offer straightforward routes to quinazolinones and guanidines, as well as new insights into the mechanism of homolytic aromatic substitutions. In parallel, Larraufie expands the scope of visible light photoredox catalysis to the ring opening of epoxides and aziridines, thus providing new sustainable alternatives for the generation of radicals. Furthermore, in a collaborative effort with the Catellani group, the author investigates dual palladium/norbornene catalysis. First, she develops a C-amination coupling variant of the Catellani reaction with unprotected amines which provides an expeditious route to phenanthridines. Then, she examines the influence of the chelating effect on Pd(IV) intermediates reactivity with the help of experimental studies and DFT calculations. The work in this thesis has resulted in numerous publications in high impact journals.The clarity and depth of the experimental section will be useful for students and researchers working in this field.