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Theoretical Aspects of Homogeneous Catalysis

Theoretical Aspects of Homogeneous Catalysis
Author: Piet W.N.M. van Leeuwen
Publisher: Springer Science & Business Media
Total Pages: 219
Release: 2012-12-06
Genre: Science
ISBN: 9401104751

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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.


Theoretical Aspects of Transition Metal Catalysis

Theoretical Aspects of Transition Metal Catalysis
Author: Gernot Frenking
Publisher: Springer Science & Business Media
Total Pages: 284
Release: 2005-06-23
Genre: Science
ISBN: 9783540235101

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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.


Theoretical Aspects of Heterogeneous Catalysis

Theoretical Aspects of Heterogeneous Catalysis
Author: John B. Moffat
Publisher: Springer Science & Business Media
Total Pages: 548
Release: 2013-03-09
Genre: Technology & Engineering
ISBN: 9401098824

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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.


Aspects of Homogeneous Catalysis

Aspects of Homogeneous Catalysis
Author: R. Ugo
Publisher: Springer Science & Business Media
Total Pages: 209
Release: 2012-12-06
Genre: Science
ISBN: 9400983719

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Carbon Dioxide Electrochemistry

Carbon Dioxide Electrochemistry
Author: Marc Robert
Publisher: Royal Society of Chemistry
Total Pages: 461
Release: 2020-10-20
Genre: Science
ISBN: 1788015460

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Homogeneous and Heterogeneous Catalysis


Catalysis

Catalysis
Author: J.A. Moulijn
Publisher: Elsevier
Total Pages: 462
Release: 1993-09-09
Genre: Technology & Engineering
ISBN: 9780080886985

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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.


Homogeneous Catalysis with Metal Complexes

Homogeneous Catalysis with Metal Complexes
Author: Oleg N. Temkin
Publisher: John Wiley & Sons
Total Pages: 963
Release: 2012-02-08
Genre: Science
ISBN: 1119966825

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Homogeneous catalysis by soluble metal complexes has gained considerable attention due to its unique applications and features such as high activity and selectivity. Catalysis of this type has demonstrated impressive achievements in synthetic organic chemistry and commercial chemical technology. Homogeneous Catalysis with Metal Complexes: Kinetic Aspects and Mechanisms presents a comprehensive summary of the results obtained over the last sixty years in the field of the kinetics and mechanisms of organic and inorganic reactions catalyzed with metal complexes. Topics covered include: Specific features of catalytic reaction kinetics in the presence of various mono- and polynuclear metal complexes and nanoclusters Multi-route mechanisms and the methods of their identification, as well as approaches to the kinetics of polyfunctional catalytic systems Principles and features of the dynamic behavior of nonlinear kinetic models The potential, achievements, and limitations of applying the kinetic approach to the identification of complex reaction mechanisms The development of a rational strategy for designing kinetic models The kinetic models and mechanisms of many homogeneous catalytic processes employed in synthetic and commercial chemistry Written for specialists in the field of kinetics and catalysis, this book is also relevant for post-graduates engaged in the study


Aspects of Homogeneous Catalysis

Aspects of Homogeneous Catalysis
Author: R. Ugo
Publisher: Springer Science & Business Media
Total Pages: 279
Release: 2012-12-06
Genre: Science
ISBN: 9401033412

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