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Theoretical Aspects Of Homogeneous Catalysis
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Author :Piet W.N.M. van Leeuwen Publisher :Springer Science & Business Media ISBN 13 :9401104751 Total Pages :219 pages Book Rating :4.4/5 (11 download)
Book Synopsis Theoretical Aspects of Homogeneous Catalysis by : Piet W.N.M. van Leeuwen
Download or read book Theoretical Aspects of Homogeneous Catalysis written by Piet W.N.M. van Leeuwen and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 219 pages. Available in PDF, EPUB and Kindle. Book excerpt: This publication is the first to present the quantitative application of quantum chemistry to organometallic reactions. Great progress has been made in recent years in the calculation of transition states of organometallic conversions in both homo and heterogeneous catalysis. This volume, which contains seven contributions by leading scientists, deals with key reactions of homogeneous catalysis including oxidative addition, migratory insertions, 2+2 additions, the Wacker reaction, and epoxidation. The book provides experimental chemists with an up-to-date overview of the state of the art in this field, and will stimulate an adjustment of views previously based on semiempirical calculations. For researchers and advanced graduate students whose work involves organometallics and catalysis.
Book Synopsis Theoretical Aspects of Homogeneous Catalysis by : Piet W. N. M. van Leeuwen
Download or read book Theoretical Aspects of Homogeneous Catalysis written by Piet W. N. M. van Leeuwen and published by . This book was released on 1995 with total page 217 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Theoretical Aspects of Transition Metal Catalysis by : Gernot Frenking
Download or read book Theoretical Aspects of Transition Metal Catalysis written by Gernot Frenking and published by Springer Science & Business Media. This book was released on 2005-06-23 with total page 284 pages. Available in PDF, EPUB and Kindle. Book excerpt: Transition metal catalysis belongs to the most important chemical research areas because a ubiquitous number of chemical reactions are catalyzed by transition metal compounds. Many efforts are being made by industry and academia to find new and more efficient catalysts for chemical processes. Transition metals play a prominent role in catalytic research because they have been proven to show an enormous diversity in lowering the activation barrier for chemical reactions. For many years, the search for new catalysts was carried out by trial and error, which was costly and time consuming. The understanding of the mechanism of the catalytic process is often not very advanced because it is difficult to study the elementary steps of the catalysis with experimental techniques. The development of modern quantum chemical methods for calculating possible intermediates and transition states was a breakthrough in gaining an understanding of the reaction pathways of transition metal catalyzed reactions. This volume, organized into eight chapters written by leading scientists in the field, illustrates the progress made during the last decade. The reader will obtain a deep insight into the present state of quantum chemical research in transition metal catalysis.
Book Synopsis Theoretical Aspects of Heterogeneous Catalysis by : John B. Moffat
Download or read book Theoretical Aspects of Heterogeneous Catalysis written by John B. Moffat and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 548 pages. Available in PDF, EPUB and Kindle. Book excerpt: Catalysis involves just about every field of scientific study. This means that a multidisciplinary approach is needed in catalytic studies. Catalysis involves breaking and forming new bonds and this requires an under standing of either adsorption by bonding to an extended structures or bonding in a coordination sphere. Any understanding of catalytic action must necessarily involve an understanding of this bonding. Even 200 years ago scientists were aware that a properly treated mate rial, such as charcoal, could adsorb an enormous quantity of gas. In 1812, de Sassasure (English translation, Annal Philosphy, 6, 241 (1815» pro posed that the ability of a material to increase the rate of chemical reac tion was due to adsorption of the material in the fine structure of the solid so that the concentrations of the reactants were significantly increased, and this increase in concentration led to an increase in reaction rate. During the 1800s, little advance was made in the understanding of adsorp tion.
Book Synopsis Theoretical Aspects of Heterogeneous Catalysis by : M.A. Nascimento
Download or read book Theoretical Aspects of Heterogeneous Catalysis written by M.A. Nascimento and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 258 pages. Available in PDF, EPUB and Kindle. Book excerpt: Heterogeneous catalysis is a fascinating and complex subject of utmost importance in the present day. Its immense technological and economical importance and the inherent complexity of the catalytic phenomena have stimulated theoretical and experimental studies by a broad spectrum of scientists, including chemists, physicists, chemical engineers, and material scientists. Computational and theoretical techniques are now having a major impact in this field. This book aims to illustrate and discuss the subject of heterogeneous catalysis and to show the current capabilities of the theoretical and computational methods for studying the various steps (diffusion, adsorption, chemical reaction) of heterogeneous catalytic process involving zeolites, metal oxides, and transition metal surfaces. The book covers: the use of techniques of computational chemistry to simulate zeolites, metallic and bimetallic surfaces, and oxide-supported metals; the impact of simulation methods on the understanding of the diffusion and adsorption of molecules and cations within the pores of zeolites, and also on the adsorption of molecules on metal and metal-oxide surfaces; and the applications of quantum-mechanical methods to the study of the reaction mechanism and pathways of the adsorbed molecules. This book is recommended primarily to scientists and graduate students conducting research in the fields of heterogeneous catalysis and surface science. It will also be valuable to advanced undergraduate students wishing to become acquainted with the latest developments in these exciting fields of research, and to experimentalists seeking theoretical support for interpreting their results.
Book Synopsis Aspects of Homogeneous Catalysis by : R. Ugo
Download or read book Aspects of Homogeneous Catalysis written by R. Ugo and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 209 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Catalysis written by J.A. Moulijn and published by Elsevier. This book was released on 1993-09-09 with total page 462 pages. Available in PDF, EPUB and Kindle. Book excerpt: Catalysis is a multidisciplinary activity which is reflected in this book. The editors have chosen a novel combination of basic disciplines - homogeneous catalysis by metal complexes is treated jointly with heterogeneous catalysis with metallic and non-metallic solids. The main theme of the book is the molecular approach to industrial catalysis. In the introductory section Chapter 1 presents a brief survey of the history of industrial heterogeneous and homogeneous catalysis. Subsequently, a selection of current industrial catalytic processes is described (Chapter 2). A broad spectrum of important catalytic applications is presented, including the basic chemistry, some engineering aspects, feedstock sources and product utilisation. In Chapter 3, kinetic principles are treated. The section on fundamental catalysis begins with a description of the bonding in complexes and to surfaces (Chapter 4). The elementary steps on complexes and surfaces are described. The chapter on heterogeneous catalysis (5) deals with the mechanistic aspects of three groups of important reactions: syn-gas conversion, hydrogenation, and oxidation. The main principles of metal and metal oxide catalysis are presented. Likewise, the chapter on homogeneous catalysis (6) concentrates on three reactions representing examples from three areas: carbonylation, polymerization, and asymmetric catalysis. Identification by in situ techniques has been included. Many constraints to the industrial use of a catalyst have a macroscopic origin. In applied catalysis it is shown how catalytic reaction engineering deals with such macroscopic considerations in heterogeneous as well as homogeneous catalysis (Chapter 7). The transport and kinetic phenomena in both model reactors and industrial reactors are outlined. The section on catalyst preparation (Chapters 8 and 9) is concerned with the preparation of catalyst supports, zeolites, and supported catalysts, with an emphasis on general principles and mechanistic aspects. For the supported catalysts the relation between the preparative method and the surface chemistry of the support is highlighted. The molecular approach is maintained throughout. The first chapter (10) in the section on catalyst characterization summarizes the most common spectroscopic techniques used for the characterisation of heterogeneous catalysts such as XPS, Auger, EXAFS, etc. Temperature programmed techniques, which have found widespread application in heterogeneous catalysis both in catalyst characterization and simulation of pretreatment procedures, are discussed in Chapter 11. A discussion of texture measurement, theory and application, concludes this section (12). The final chapter (13) gives an outline of current trends in catalysis. Two points of view are adopted: the first one focusses on developments in process engineering. Most often these have their origin in demands by society for better processes. The second point of view draws attention to the autonomous developments in catalysis, which is becoming one of the frontier sciences of physics and chemistry. In this book emphasis is on those reactions catalyzed by heterogeneous and homogeneous catalysts of industrial relevance. The integrative treatment of the subject matter involves many disciplines, consequently, the writing of the book has been a multi-author task. The editors have carefully planned and harmonized the contents of the chapters.
Book Synopsis Aspects of Homogeneous Catalysis by : R. Ugo
Download or read book Aspects of Homogeneous Catalysis written by R. Ugo and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 279 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Mechanisms in Homogeneous Catalysis by : Brian Heaton
Download or read book Mechanisms in Homogeneous Catalysis written by Brian Heaton and published by John Wiley & Sons. This book was released on 2006-03-06 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt: While chemists using spectroscopic methods need to learn from the specialists, they do not normally read the spectroscopists' original papers. This book provides this very information -- summarizing some recent advances in the mechanistic understanding of metallocene polymerization catalysts and the role of NMR spectroscopy in these endeavors. Adopting a real practice-oriented approach, the authors focus on two of the most important spectroscopic techniques with two parts devoted to each of NMR and IR spectroscopy - as well as on important industrial applications with regard to the reaction discussed. Rather than providing a complete and exhaustive review of homogeneous hydrogenation and its detailed mechanisms, the book focuses on the specific spectroscopic techniques and the mechanistic information that has been obtained from their application. The result is unique in its scope, allowing chemists from different fields to learn which techniques can be applied for their specific synthetic problems. The prizewinning editor, Professor Brian Heaton, is the key player in the field, and has brought together here a team of authors to cater for specialists, and researchers in industry and academia.
Book Synopsis Computational Modeling of Homogeneous Catalysis by : Feliu Maseras
Download or read book Computational Modeling of Homogeneous Catalysis written by Feliu Maseras and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent results on a wide array of catalytic processes are collected in this volume. The book illustrates the importance of computational modelling in homogeneous catalysis by providing up-to-date reviews of its application to a variety of reactions of industrial interest.
Author :Piet W.N.M. van Leeuwen Publisher :Springer Science & Business Media ISBN 13 :1402020007 Total Pages :413 pages Book Rating :4.4/5 (2 download)
Book Synopsis Homogeneous Catalysis by : Piet W.N.M. van Leeuwen
Download or read book Homogeneous Catalysis written by Piet W.N.M. van Leeuwen and published by Springer Science & Business Media. This book was released on 2006-08-02 with total page 413 pages. Available in PDF, EPUB and Kindle. Book excerpt: No available as softcover No other book available that gives insight into so many reactions of importance, while the field of homogeneous catalysis is becoming more and more important to organic chemists, industrial chemists, and academia. Gives real insight in the many new and old reactions of importance, based on the author's extensive experience in both teaching and industrial practice. Provide background to chemists trained in a different discipline and graduate and masters students who take catalysis as a main or secondary topic.
Book Synopsis Kinetics and Catalysis in Homogeneous and Heterogeneous Systems by : I. M. Kolesnikov
Download or read book Kinetics and Catalysis in Homogeneous and Heterogeneous Systems written by I. M. Kolesnikov and published by Nova Biomedical Books. This book was released on 2001 with total page 252 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book consists of two parts: the first one deals with kinetics of processes in heterogeneous systems and those with different degrees of phase dispersion. Strict analytic methods are recommended for solving the kinetic equations for non-catalytic processes in gas, liquid, and solid phases herein. The second part of the book is devoted to studying structure and properties of catalysts and to the developing of catalysis theories. Kinetic methods to describe catalytic process have been worked out. Mechanisms of elementary catalytic stages are under consideration: theoretical methods of selecting catalysts for chemical reactions are being suggested on the basis of the theory of catalysis by polyhedra and Generalised Quantum-Chemical Principle. Mechanisms of adsorption, homogenous and heterogeneous catalysis, are under consideration. Theoretical parts are illustrated by problems with solutions.
Book Synopsis Computational Organometallic Chemistry by : Olaf Wiest
Download or read book Computational Organometallic Chemistry written by Olaf Wiest and published by Springer Science & Business Media. This book was released on 2012-02-27 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational methods have become an indispensible tool for elucidating the mechanism of organometallic reactions. This snapshot of state-of-the-art computational studies provides an overview of the vast field of computational organometallic chemistry. Authors from Asia, Europe and the US have been selected to contribute a chapter on their specialist areas. Topics addressed include: DFT studies on zirconium-mediated reactions, force field methods in organometallic chemistry, hydrogenation of π-systems, oxidative functionalization of unactivated C-H bonds and olefins, the osmylation reaction, and cobalt carbonyl clusters. The breadth and depth of the contributions demonstrate not only the crucial role that computational methods play in the study of a wide range of organometallic reactions, but also attest the robust health of the field, which continues to benefit from, as well as inspire novel experimental studies.
Book Synopsis Homogeneous Catalysis with Metal Complexes by : Gheorghe Duca
Download or read book Homogeneous Catalysis with Metal Complexes written by Gheorghe Duca and published by Springer Science & Business Media. This book was released on 2012-06-15 with total page 484 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book about homogeneous catalysis with metal complexes deals with the description of the reductive-oxidative, metal complexes in a liquid phase (in polar solvents, mainly in water, and less in nonpolar solvents). The exceptional importance of the redox processes in chemical systems, in the reactions occuring in living organisms, the environmental processes, atmosphere, water, soil, and in industrial technologies (especially in food-processing industries) is discussed. The detailed practical aspects of the established regularities are explained for solving the specific practical tasks in various fields of industrial chemistry, biochemistry, medicine, analytical chemistry and ecological chemistry. The main scope of the book is the survey and systematization of the latest advances in homogeneous catalysis with metal complexes. It gives an overview of the research results and practical experience accumulated by the author during the last decade.
Book Synopsis Activation and Catalytic Reactions of Saturated Hydrocarbons in the Presence of Metal Complexes by : A.E. Shilov
Download or read book Activation and Catalytic Reactions of Saturated Hydrocarbons in the Presence of Metal Complexes written by A.E. Shilov and published by Springer Science & Business Media. This book was released on 2001-11-30 with total page 556 pages. Available in PDF, EPUB and Kindle. Book excerpt: hemistry is the science about breaking and forming of bonds between atoms. One of the most important processes for organic chemistry is breaking bonds C–H, as well as C–C in various compounds, and primarily, in hydrocarbons. Among hydrocarbons, saturated hydrocarbons, alkanes (methane, ethane, propane, hexane etc. ), are especially attractive as substrates for chemical transformations. This is because, on the one hand, alkanes are the main constituents of oil and natural gas, and consequently are the principal feedstocks for chemical industry. On the other hand, these substances are known to be the less reactive organic compounds. Saturated hydrocarbons may be called the “noble gases of organic chemistry” and, if so, the first representative of their family – methane – may be compared with extremely inert helium. As in all comparisons, this parallel between noble gases and alkanes is not fully accurate. Indeed the transformations of alkanes, including methane, have been known for a long time. These reactions involve the interaction with molecular oxygen from air (burning – the main source of energy!), as well as some mutual interconversions of saturated and unsaturated hydrocarbons. However, all these transformations occur at elevated temperatures (higher than 300–500 °C) and are usually characterized by a lack of selectivity. The conversion of alkanes into carbon dioxide and water during burning is an extremely valuable process – but not from a chemist viewpoint.
Book Synopsis Theoretical and Computational Approaches to Interface Phenomena by : J.T. Golab
Download or read book Theoretical and Computational Approaches to Interface Phenomena written by J.T. Golab and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 249 pages. Available in PDF, EPUB and Kindle. Book excerpt: Many chemical processes that are important to society take place at boundaries between phases. Understanding these processes is critical in order for them to be subject to human control. The building of theoretical or computational models of them puts them into a theoretical framework in terms of which the behavior of the system can be understood on a detailed level. Theoretical and computational models are often capable of giving descriptions of interfacial phenomena that are more detailed, on a molecular level, than can be obtained through experimental observation. Advances in computer hardware have also made possible the treatment of larger and chemically more interesting systems. The study of interfacial phenomena is a multi-disciplinary endeavor which requires collaboration and communication among researchers in different fields and across different types of institutions. Because there are many important problems in this field much effort is being expended to understand these processes by industrial laboratories as well as by groups at universities. Our conference titled "Theoretical and Computational Approaches to Interface Phenomena" held at South Dakota State University, August 2-4, 1993 brought together over thirty scientists from industry and academia and three countries in the western hemisphere to discuss the modeling of interfacial phenomena.
Book Synopsis Organometallics by : Christoph Elschenbroich
Download or read book Organometallics written by Christoph Elschenbroich and published by John Wiley & Sons. This book was released on 2016-02-10 with total page 817 pages. Available in PDF, EPUB and Kindle. Book excerpt: THE textbook on organometallic chemistry. Comprehensive and up-to-date, the German original is already a classic, making this third completely revised and updated English edition a must for graduate students and lecturers in chemistry, inorganic chemists, chemists working with/on organometallics, bioinorganic chemists, complex chemists, and libraries. Over one third of the chapters have been expanded to incorporate developments since the previous editions, while the chapter on organometallic catalysis in synthesis and production appears for the first time in this form. From the reviews of the first English editions: 'The selection of material and the order of its presentation is first class ... Students and their instructors will find this book extraordinarily easy to use and extraordinarily useful.' -Chemistry in Britain 'Elschenbroich and Salzer have written the textbook of choice for graduate or senior-level courses that place an equal emphasis on main group element and transition metal organometallic chemistry. ... this book can be unequivocally recommended to any teacher or student of organometallic chemistry.' - Angewandte Chemie International Edition 'The breadth and depth of coverage are outstanding, and the excitement of synthetic organometallic chemistry comes across very strongly.' - Journal of the American Chemical Society
