Application of Transition Metal Phosphine Complexes in the Modeling of Catalytic Processes

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ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (959 download)

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Book Synopsis Application of Transition Metal Phosphine Complexes in the Modeling of Catalytic Processes by : Ashley Zuzek

Download or read book Application of Transition Metal Phosphine Complexes in the Modeling of Catalytic Processes written by Ashley Zuzek and published by . This book was released on 2014 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: T1 measurements of the hydride ligands and deuterium isotope effect shifts both confirm that this complex exists as a classical hydride in solution, which is in accord with the classical hydride formulation in the solid state that was previously determined by X-ray diffraction.

Homogeneous Catalysis with Metal Phosphine Complexes

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Publisher : Springer Science & Business Media
ISBN 13 : 1461336236
Total Pages : 494 pages
Book Rating : 4.4/5 (613 download)

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Book Synopsis Homogeneous Catalysis with Metal Phosphine Complexes by : Louis M. Pignolet

Download or read book Homogeneous Catalysis with Metal Phosphine Complexes written by Louis M. Pignolet and published by Springer Science & Business Media. This book was released on 2013-11-21 with total page 494 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of transition metal catalysis has experienced incredible growth during the past decade. The reasons for this are obvious when one considers the world's energy problems and the need for new and less energy demanding syntheses of important chemicals. Heterogeneous catalysis has played a major industrial role; however, such reactions are generally not selective and are exceedingly difficult to study. Homogeneous catalysis suffers from on-site engineering difficulties; however, such reactions usually provide the desired selectivity. For example, Monsanto's synthesis of optically-active amino acids employs a chiral homogeneous rhodium diphosphine catalyst. Industrial uses of homogeneous catalyst systems are increasing. It is not by accident that many homogeneous catalysts contain tertiary phosphine ligands. These ligands possess the correct steric and electronic properties that are necessary for catalytic reactivity and selectivity. This point will be emphasized throughout the book. Thus the stage is set for a comprehensive be treatment of the many ways in which phosphine catalyst systems can designed, synthesized, and studied.

Catalysis by Di- and Polynuclear Metal Cluster Complexes

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Publisher : Wiley-VCH
ISBN 13 :
Total Pages : 586 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Catalysis by Di- and Polynuclear Metal Cluster Complexes by : Richard D. Adams

Download or read book Catalysis by Di- and Polynuclear Metal Cluster Complexes written by Richard D. Adams and published by Wiley-VCH. This book was released on 1998-03-16 with total page 586 pages. Available in PDF, EPUB and Kindle. Book excerpt: A pioneer work on catalysis of organic chemical reactions involving multinuclear metal complexes. Catalysis by Di- and Polynuclear Metal Cluster Complexes surveys the latest developments at the frontier of this exciting field, combining theory with new and original examples of catalytic processes produced by polynuclear metal complexes. An invaluable resource for inorganic and organometallic chemists in industry and R&D, it contains chapters from world experts and scholars on: Concepts and models for characterizing homogeneous reactions catalyzed by transition metal cluster complexes Activation of ruthenium clusters for use in catalysis Catalysis by mixed metal clusters containing gold phosphine groupings Catalysis by sulfido bridged dimolybdenum complexes Dimolybdenum and ditungsten complexes Synthesis of organic compounds catalyzed by transition metal clusters Catalysis with dirhodium (II) complexes Catalytic synthesis of polythioether macrocycles Catalysis of Rh, Rh-Co, and Ir-Co multinuclear complexes and its applications to organic syntheses Bimetallic hydroformylation catalysis Catalysis by colloids Catalysis with palladium clusters Heterometallic clusters for heterogeneous catalysis Supported clusters in catalysis.

Computational Modeling of Homogeneous Catalysis

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Publisher : Springer Science & Business Media
ISBN 13 : 0306477181
Total Pages : 373 pages
Book Rating : 4.3/5 (64 download)

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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 373 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.

Transition Metal Sulphides

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Publisher : Springer Science & Business Media
ISBN 13 : 9401735778
Total Pages : 357 pages
Book Rating : 4.4/5 (17 download)

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Book Synopsis Transition Metal Sulphides by : Th. Weber

Download or read book Transition Metal Sulphides written by Th. Weber and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 357 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hydrotreating catalysis with transition metal sulphides is one of the most important areas of industrial heterogeneous catalysis. The present book deals with the chemical and catalytic aspects of transition metal sulphides, focusing on their use in hydrotreating catalysis. The book¿s 12 chapters present reviews of solid-state, coordination and organometallic chemistry, surface science and spectroscopic studies, quantum chemical calculations, catalytic studies with model and real catalysts, as well as refinery processes. A presentation of state-of-the-art background to pertinent work in the field. Can be used as an introduction to the chemical and catalytic properties of transition metal sulphides as well as an advanced level reference.

An Exploration of Mid- to High-valent Transition Metal Complexes for Application to Catalysis

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Publisher :
ISBN 13 : 9781392071069
Total Pages : 824 pages
Book Rating : 4.0/5 (71 download)

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Book Synopsis An Exploration of Mid- to High-valent Transition Metal Complexes for Application to Catalysis by : Kelly E. Aldrich

Download or read book An Exploration of Mid- to High-valent Transition Metal Complexes for Application to Catalysis written by Kelly E. Aldrich and published by . This book was released on 2019 with total page 824 pages. Available in PDF, EPUB and Kindle. Book excerpt: The valency or oxidation state of a transition metal in a complex plays a large role in determining the reactivity of the complex. With transition metal chemistry, historically accessible chemistry has often focused on metals in a low oxidation state. However, transformations involving transition metals in high oxidation states are of equal importance in providing complex products for use in consumer products. Expanding the applications and understanding of transition metal complexes in high oxidation states is the focus of the research presented in this dissertation. Fundamental studies of how ligands interact with high valent metals is presented in chapters 2 and 3, where a chromium(VI) model complex has been used to study bonding interactions between this d0 transition metal and phosphine ligands. Practical application of high valent titanium(IV) catalysts to C--N bond forming reactions is presented in chapters 4--6. Finally, chapters 7 and 8 focus on the changes in the character of M--N double bonds, with M=Fe and Ru, as the metal is forced to higher oxidation states. Collectively, these studies demonstrate different approaches to the same general problems and questions of how chemists can better understand and utilize high valent transitions metals to do catalytically-target desired transformations.

Improved Modeling of Transition Metals, Applications to Catalysis and Technetium Chemistry

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ISBN 13 :
Total Pages : 13 pages
Book Rating : 4.:/5 (316 download)

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Book Synopsis Improved Modeling of Transition Metals, Applications to Catalysis and Technetium Chemistry by : T. R. Cundari

Download or read book Improved Modeling of Transition Metals, Applications to Catalysis and Technetium Chemistry written by T. R. Cundari and published by . This book was released on 2004 with total page 13 pages. Available in PDF, EPUB and Kindle. Book excerpt: There is considerable impetus for identification of aqueous OM catalysts as water is the ultimate ''green'' solvent. In collaboration with researchers at Ames Lab, we investigated effective fragment and Monte Carlo techniques for aqueous-phase hydroformylation (HyF). The Rh of the HyF catalyst is weakly aquated, in contrast to the hydride of the Rh-H bond. As the insertion of the olefin C=C into Rh-H determines the linear-to-branched aldehyde ratio, it is reasonable to infer that solvent plays an important role in regiochemistry. Studies on aqueous-phase organometallic catalysis were complemented in studies of the gas-phase reaction. A Rh-carbonyl-phosphine catalyst was investigated. Two of the most important implications of this research include (a) pseudorotation among five-coordinate intermediates is significant in HyF, and (b) CO insertion is the rate-determining step. The latter is in contrast to experimental deductions, highlighting the need for more accurate modeling. To this end, we undertook studies of (a) experimentally relevant PR{sub 3} co-ligands (PMe{sub 3}, PPh{sub 3}, P(p-PhSO{sub 3{sup -}}){sub 3}, etc.), and (b) HyF of propene. For the propylene research, simulations indicated that the linear: branched aldehyde ratio (linear is more desirable) is determined by thermodynamic discrimination of two distinct pathways. Other projects include a theory-experiment study of C-H activation by early transition metal systems, which establishes that weakly-bound adducts play a key role in activity selectivity. By extension, more selective catalysts for functionalization of methane (major component of natural gas) will require better understanding of these adducts, which are greatly affected by steric interactions with the ligands. In the de novo design of Tc complexes, we constructed (and are now testing) a coupled quantum mechanics-molecular mechanics protocol. Initial research shows it to be capable of accurately predicting structure ''from scratch.'' Challenges include conformational, geometric, coordination, spin, and particularly linkage (e.g., Tc-SCN versus Tc-NCS) isomerism. In general, our protocol can rapidly (

N-Heterocyclic Carbenes in Transition Metal Catalysis and Organocatalysis

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Publisher : Springer Science & Business Media
ISBN 13 : 9048128668
Total Pages : 348 pages
Book Rating : 4.0/5 (481 download)

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Book Synopsis N-Heterocyclic Carbenes in Transition Metal Catalysis and Organocatalysis by : Catherine S.J. Cazin

Download or read book N-Heterocyclic Carbenes in Transition Metal Catalysis and Organocatalysis written by Catherine S.J. Cazin and published by Springer Science & Business Media. This book was released on 2010-10-04 with total page 348 pages. Available in PDF, EPUB and Kindle. Book excerpt: N-Heterocyclic Carbenes in Transition Metal Catalysis and Organocatalysis features all catalytic reactions enabled by N-heterocyclic carbenes (NHCs), either directly as organocatalysts or as ligands for transition metal catalysts. An explosion in the use of NHCs has been reported in the literature during the past seven years making this comprehensive overview highly apropos. The book begins with an introductory overview of NHCs which could have been subtitled all you need to know about NHCs. The main body of the book is dedicated to applications of NHCs in catalysis. In addition to the success stories of NHCs in metathesis, NHCs in cross coupling and more recently NHCs in organocatalysis, all other less publicized areas are also covered. As the success of NHCs is generally attributed to their potential to stabilize metal centres, the inclusion of a chapter on the decomposition of NHC catalysts is pertinent. The book closes with a chapter describing the applications of NHCs in industrial processes, which is the first coverage of its kind, and brings a unique industrial context to this book. Included in this book: Historical aspects of NHCs Synthetic pathways to NHC precursors, free NHCs and complexes Methods of characterisation of NHCs and related complexes Electronic properties of NHCs Steric properties of NHCs and models for their description NHCs for metathesis and cross-coupling reactions NHCs as organocatalysts NHC Transition-Metal mediated oxidations, additions to multiple bonds, polymerisation and oligomerisation, cyclisations, direct arylations, reactions involving CO, C-F and C-H bond activation, ... Decomposition of NHC-containing catalysts Industrial applications involving NHC-containing catalysts N-Heterocyclic Carbenes in Transition Metal Catalysis and Organocatalysis provides a fresh view of NHCs since most contributors are young emerging researchers in the field of homogeneous catalysis using NHCs. This group of contributors is complemented by highly established academic researchers and an industrialist. This book is comprehensive, from the basic features of NHCs to the latest advances, hence it is suitable for both the novice and the expert.

Application of Transition Metal Catalysts in Organic Synthesis

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Publisher : Springer Science & Business Media
ISBN 13 : 3642603289
Total Pages : 349 pages
Book Rating : 4.6/5 (426 download)

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Book Synopsis Application of Transition Metal Catalysts in Organic Synthesis by : L. Brandsma

Download or read book Application of Transition Metal Catalysts in Organic Synthesis written by L. Brandsma and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 349 pages. Available in PDF, EPUB and Kindle. Book excerpt: Homogeneous catalysis is an important strategy for the synthesis of high-valued chemicals. L. Brandsma has carefully selected and checked the experimental procedures illustrating the catalytic use of copper, nickel, and palladium compounds in organic synthesis. All procedures are on a preparative scale, make economic use of solvents and catalysts, avoid toxic substances and have high yields.

Studies of Transition Metal Phosphine Complexes Relevant to Catalysis

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Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (62 download)

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Book Synopsis Studies of Transition Metal Phosphine Complexes Relevant to Catalysis by : Graham Stuart Robertson

Download or read book Studies of Transition Metal Phosphine Complexes Relevant to Catalysis written by Graham Stuart Robertson and published by . This book was released on 1997 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Catalysis

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Publisher : Elsevier
ISBN 13 : 0080886981
Total Pages : 485 pages
Book Rating : 4.0/5 (88 download)

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Book Synopsis Catalysis by : J.A. Moulijn

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 485 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.

Catalysis by Transition Metal Sulphides

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Publisher : Editions TECHNIP
ISBN 13 : 2710809915
Total Pages : 368 pages
Book Rating : 4.7/5 (18 download)

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Book Synopsis Catalysis by Transition Metal Sulphides by : RAYBAUD Pascal

Download or read book Catalysis by Transition Metal Sulphides written by RAYBAUD Pascal and published by Editions TECHNIP. This book was released on 2013-03-01 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: The main application of Transition Metal Sulphides (TMS) as solid catalysts is for production of clean fuels in petroleum refineries. The various feedstocks to be processed all contain more or less sulphur, included in highly stable heteroaromatic molecules. In order to meet the stringent specifications imposed worldwide nowadays on transportation fuels to reduce their environmental impact, catalytic hydroprocessing remains essential. In this process, sulphur is removed as H2S following the reaction between molecular hydrogen and the heteroaromatics. The reaction conditions and reaction medium composition are such that only TMS provide stable catalysts, generally supported on alumina. Both for their fundamental and applied interest, these fascinating systems are still the subject of a very significant research effort, while major advances have been made over the past 30 years, involving innovative preparation routes, sophisticated surface science experiments for characterisation, detailed kinetic and mechanistic studies, and state of the art DFT simulations giving unprecedented insight into the local structure as well as elementary steps at microscopic level. This book aims at providing a complete, comprehensive and updated survey of the field, useful for anyone involved: the student starting a research project, the academic researcher or the refinery engineer willing to deepen their knowledge on the catalytic as well as on the process aspects. 37 specialists from IFP Energies nouvelles, CNRS, or French universities have contributed, reporting a unique synthesis of the last 15 years of research. The preface written by Michèle Breysse, a well known leading scientist who devoted most of her fruitful career to this topic, puts this collective work into a meaningful historical perspective. Contents : Part 1. Fundamental Aspects: Insights from DFT calculations and experimental surface sciences. 1. Periodic trends in catalysis by sulphides. 2. Atomic scale structures of mixed lamellar sulphides. 3. Theoretical and microkinetic studies of hydrotreatment reactions. 4. Models of supported Co(Ni)MoS Catalysts. Part 2. Progress in the preparation and characterisation of industrial hydrotreating catalysts. 1. Principles involved in the preparation of hydrotreatment catalysts. 2. Progress in the preparation of new catalysts. 3. Progress in the preparation of catalysts with controlled acidity: case of aluminosilicate supports. 4. Activation and genesis of the active phase by sulfidation. 5. life cycle of an HDT catalyst. 6. Charaterisation of catalysts. Part 3. Applications to the production of clean fuels. 1. An overview of refining. 2. Deep desulphurisation of middle distillates. 3. Selective desulphurisation of catalytic cracking gasolines. 4. Hydrocracking. 5. Hydroprocessing and hydroconversion of residue fractions. 6. Hydrotreatment of vegetable oils. 7. Hydroconversion of coals. Conclusion.

Fundamentals of Asymmetric Catalysis

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Publisher : University Science Books
ISBN 13 : 9781891389542
Total Pages : 692 pages
Book Rating : 4.3/5 (895 download)

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Book Synopsis Fundamentals of Asymmetric Catalysis by : Patrick J. Walsh

Download or read book Fundamentals of Asymmetric Catalysis written by Patrick J. Walsh and published by University Science Books. This book was released on 2009-01-02 with total page 692 pages. Available in PDF, EPUB and Kindle. Book excerpt: This work describes the essential aspects of enantioselective catalysis, with chapters organised by concept rather than by reaction type. Each concept is supported by examples to give the reader broad exposure to a wide range of catalysts, reactions and reaction mechanisms.

Chiral Transition Metal Complexes Containing Phosphines

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Publisher :
ISBN 13 :
Total Pages : 314 pages
Book Rating : 4.:/5 (546 download)

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Book Synopsis Chiral Transition Metal Complexes Containing Phosphines by : Darlene Grace D'Alliessi

Download or read book Chiral Transition Metal Complexes Containing Phosphines written by Darlene Grace D'Alliessi and published by . This book was released on 2003 with total page 314 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Non-Noble Metal Catalysis

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Publisher : John Wiley & Sons
ISBN 13 : 3527699112
Total Pages : 450 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Non-Noble Metal Catalysis by : Robertus J. M. Klein Gebbink

Download or read book Non-Noble Metal Catalysis written by Robertus J. M. Klein Gebbink and published by John Wiley & Sons. This book was released on 2018-12-19 with total page 450 pages. Available in PDF, EPUB and Kindle. Book excerpt: An expert overview of current research, applications, and economic and environmental advantages The study and development of new homogeneous catalysts based on first-row metals (Mn, Fe, Co, Ni, and Cu) has grown significantly due to the economic and environmental advantages that non-noble metals present. Base metals offer reduced cost, greater supply, and lower toxicity levels than noble metals?enabling greater opportunity for scientific investigation and increased development of practical applications. Non-Noble Metal Catalysis provides an authoritative survey of the field, from fundamental concepts and computational methods to industrial applications and reaction classes. Recognized experts in organometallic chemistry and homogeneous catalysis, the authors present a comprehensive overview of the conceptual and practical aspects of non-noble metal catalysts. Examination of topics including non-innocent ligands, proton-coupled electron transfer, and multi-nuclear complexes provide essential background information, while areas such as kinetic lability and lifetimes of intermediates reflect current research and shifting trends in the field. This timely book demonstrates the efficacy of base metal catalysts in the pharmaceutical, fine-chemical, and agrochemical industries, addressing both environmental and economic concerns. Providing essential conceptual and practical exploration, this valuable resource: -Illustrates how unravelling new reactivity patterns can lead to new catalysts and new applications -Highlights the multiple advantages of using non-noble metals in homogenous catalysis -Demonstrates how the availability of non-noble metal catalysis reduces costs and leads to immense savings for the chemical industry -Reveals how non-noble metal catalysis are more sustainable than noble metals such as palladium or platinum Non-Noble Metal Catalysis: Molecular Approaches and Reactions is an indispensable source of up-to-date information for catalytic chemists, organic chemists, industrial chemists, organometallic chemists, and those seeking to broaden their knowledge of catalytic chemistry.

Heterocycles from Transition Metal Catalysis

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Publisher : Springer Science & Business Media
ISBN 13 : 9781402036248
Total Pages : 224 pages
Book Rating : 4.0/5 (362 download)

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Book Synopsis Heterocycles from Transition Metal Catalysis by : András Kotschy

Download or read book Heterocycles from Transition Metal Catalysis written by András Kotschy and published by Springer Science & Business Media. This book was released on 2005-09-30 with total page 224 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Heterocycles from Transition Metal Catalysis: Formation and Functionalization" provides a concise summary of the prominent role of late transition metal (palladium, nickel, copper) catalysed processes in the synthesis and functionalization of heterocyclic systems. It gives an introduction to catalytic transformations, an overview of the most important reaction types, and presents synthetically useful catalytic processes classified by the target system and the type of transformation. The book provides a representative selection of transition metal catalysed reactions transformations that are relevant in heterocyclic chemistry. In this way, the authors present a useful resource for members of the academic community looking for a textbook as well as industrial chemists in search of a reference book. This book will be an invaluable resource for synthetic chemists, medicinal chemists, and those more generally interested in applied catalysis.

The Solubilization of Transition-metal Complexes Into Aqueous Media for Use in Biphasic Catalytic Systems

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Publisher :
ISBN 13 :
Total Pages : 262 pages
Book Rating : 4.:/5 (347 download)

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Book Synopsis The Solubilization of Transition-metal Complexes Into Aqueous Media for Use in Biphasic Catalytic Systems by : Michael Rodney Kannisto

Download or read book The Solubilization of Transition-metal Complexes Into Aqueous Media for Use in Biphasic Catalytic Systems written by Michael Rodney Kannisto and published by . This book was released on 1994 with total page 262 pages. Available in PDF, EPUB and Kindle. Book excerpt: