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Synthetic And Computational Studies Of Metal Ligand Cooperation With Iron Group Complexes For Water Splitting And Ketone Hydrogenation
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Book Synopsis Synthetic and Computational Studies of Metal-ligand Cooperation with Iron Group Complexes for Water Splitting and Ketone Hydrogenation by : Demyan Evan Prokopchuk
Download or read book Synthetic and Computational Studies of Metal-ligand Cooperation with Iron Group Complexes for Water Splitting and Ketone Hydrogenation written by Demyan Evan Prokopchuk and published by . This book was released on 2015 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Olefin Polymerization by : Walter Kaminsky
Download or read book Olefin Polymerization written by Walter Kaminsky and published by Wiley-VCH. This book was released on 2006-08-18 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: With an enormous velocity, olefin polymerization has expanded to one of the most significant fields in polymers since the first industrial use about 50 years ago. In 2005, 100 million tons of polyolefins were produced - the biggest part was catalyzed by metallorganic compounds. The Hamburg Macromolecular Symposium 2005 with the title "Olefin Polymerization" involved topics such as new catalysts and cocatalysts, kinetics, mechanism and polymer reaction engineering, synthesis of special polymers, and characterization of polyolefins. The conference combined scientists from different disciplines to discuss latest research results of polymers and to offer each other the possibility of cooperation. This is reflected in this volume, which contains invited lectures and selected posters presented at the symposium.
Book Synopsis The Ligand Acidity Constant Method Applied to Transition Metal-Hydride Complexes and Hydrogenation Catalysts by : Meng Hua Sung
Download or read book The Ligand Acidity Constant Method Applied to Transition Metal-Hydride Complexes and Hydrogenation Catalysts written by Meng Hua Sung and published by . This book was released on 2020 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This thesis primarily focusses on the expansion and application of the Ligand Acidity Constant (LAC) theory for the prediction of the acidity of metal hydride and dihydrogen complexes, particularly with respect to complexes bearing NHC ligands. Computational studies were carried out on a series of iron complexes, [FeH(CO)x(PR3)(5−x)]+ and their conjugate bases, and the data supported the additive effect of ligands on pKa and were used to determine the accuracy of computational methods. The linear correlation between the computed and measured pKa values produced a correction value that was further applied to the computational derivation of ligand acidity (AL) values for a series of neutral ligands, including PF3 and various NHC ligands in chapter 3. This chapter explored the relative AL values of NHCs to study steric and electronic trends arising from substitution at both the NHC backbone and wing-tip positions. Chapter 4 reports the use of a Ru-NCN complex as a CO2 hydrogenation catalyst. Although catalytic activity is modest, LAC theory is combined with experimental observations to elucidate a potential catalytic mechanism. EXSY NMR spectroscopy reveals interesting dynamic processes, including a "roll-over" of a ligand picolyl arm which may occur via a Perutz-Sabo- Etienne complex assisted metathesis (CAM) mechanism. Lastly, two novel protic-NHC ligands were synthesized and characterized. Metallation to Ru by redox tautomerization cleanly yielded air and moisture stable Ru-pNHC complexes. These Ru complexes were fully characterized and more work is required to further explore their potential as catalysts for ketone hydrogenation.
Book Synopsis Ligand Design in Metal Chemistry by : Mark Stradiotto
Download or read book Ligand Design in Metal Chemistry written by Mark Stradiotto and published by John Wiley & Sons. This book was released on 2016-09-01 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: The design of ancillary ligands used to modify the structural and reactivity properties of metal complexes has evolved into a rapidly expanding sub-discipline in inorganic and organometallic chemistry. Ancillary ligand design has figured directly in the discovery of new bonding motifs and stoichiometric reactivity, as well as in the development of new catalytic protocols that have had widespread positive impact on chemical synthesis on benchtop and industrial scales. Ligand Design in Metal Chemistry presents a collection of cutting-edge contributions from leaders in the field of ligand design, encompassing a broad spectrum of ancillary ligand classes and reactivity applications. Topics covered include: Key concepts in ligand design Redox non-innocent ligands Ligands for selective alkene metathesis Ligands in cross-coupling Ligand design in polymerization Ligand design in modern lanthanide chemistry Cooperative metal-ligand reactivity P,N Ligands for enantioselective hydrogenation Spiro-cyclic ligands in asymmetric catalysis This book will be a valuable reference for academic researchers and industry practitioners working in the field of ligand design, as well as those who work in the many areas in which the impact of ancillary ligand design has proven significant, for example synthetic organic chemistry, catalysis, medicinal chemistry, polymer science and materials chemistry.
Book Synopsis Ligand Platforms in Homogenous Catalytic Reactions with Metals by : Ryohei Yamaguchi
Download or read book Ligand Platforms in Homogenous Catalytic Reactions with Metals written by Ryohei Yamaguchi and published by John Wiley & Sons. This book was released on 2014-11-17 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: Serving as a user's manual for synthetic organic and catalytic chemists, this book guides chemists in the design and choice of ligands to catalyze organic reactions and apply the results for more efficient, green, and practical synthesis. • Focuses on the role of ligands in metal complexes that catalyze green organic transformations: a hot topic in the area of organic synthesis and green chemistry • Offers a comprehensive resource to help readers design and choose ligands and understand selectivity/reactivity characteristics • Addresses a gap by taking novel ligand approaches and including up-to-date discussion on hydrogen transfers and reactions • Presents important industrial perspective and provides rational explanations of ligand effects, impacts, and novelty
Book Synopsis Versatile Cooperative Ligand Effects in Group 9 Transition Metal Catalysis by :
Download or read book Versatile Cooperative Ligand Effects in Group 9 Transition Metal Catalysis written by and published by . This book was released on 2015 with total page 163 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis CO2 Hydrogenation Catalysis by : Yuichiro Himeda
Download or read book CO2 Hydrogenation Catalysis written by Yuichiro Himeda and published by John Wiley & Sons. This book was released on 2021-06-28 with total page 322 pages. Available in PDF, EPUB and Kindle. Book excerpt: A guide to the effective catalysts and latest advances in CO2 conversion in chemicals and fuels Carbon dioxide hydrogenation is one of the most promising and economic techniques to utilize CO2 emissions to produce value-added chemicals. With contributions from an international team of experts on the topic, CO2 Hydrogenation Catalysis offers a comprehensive review of the most recent developments in the catalytic hydrogenation of carbon dioxide to formic acid/formate, methanol, methane, and C2+ products. The book explores the electroreduction of carbon dioxide and contains an overview on hydrogen production from formic acid and methanol. With a practical review of the advances and challenges in future CO2 hydrogenation research, the book provides an important guide for researchers in academia and industry working in the field of catalysis, organometallic chemistry, green and sustainable chemistry, as well as energy conversion and storage. This important book: Offers a unique review of effective catalysts and the latest advances in CO2 conversion Explores how to utilize CO2 emissions to produce value-added chemicals and fuels such as methanol, olefins, gasoline, aromatics Includes the latest research in homogeneous and heterogeneous catalysis as well as electrocatalysis Highlights advances and challenges for future investigation Written for chemists, catalytic chemists, electrochemists, chemists in industry, and chemical engineers, CO2 Hydrogenation Catalysis offers a comprehensive resource to understanding how CO2 emissions can create value-added chemicals.
Book Synopsis Metal-Ligand Interactions: From Atoms, to Clusters, to Surfaces by : Dennis R. Salahub
Download or read book Metal-Ligand Interactions: From Atoms, to Clusters, to Surfaces written by Dennis R. Salahub and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 428 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metal-ligand interactions are currently being studied in different fields, from a variety of points of view, and recent progress has been substantial. Whole new classes of compounds and reactions have been found; an arsenal of physical methods has been developed; mechanistic detail can be ascertained to an increasingly minute degree; and the theory is being developed to handle systems of ever-growing complexity. As usual, such multidisciplinarity leads to great opportunities, coupled with great problems of communication between specialists. It is in its promotion of interactions across these fields that Metal-Ligand Interactions: From Atoms, to Clusters, to Surfaces makes its timely contribution: the tools, both theoretical and experimental, are highly developed, and fundamental questions remain unanswered. The most fundamental of these concerns the nature of the microscopic interactions between metal atoms (clusters, surfaces) and ligands (atoms, molecules, absorbates, reagents, products) and the changes in these interactions during physical and chemical transformation. In Metal-Ligand Interactions, leading experts discuss the following, vital aspects: ab initio theory, semi-empirical theory, density functional theory, complexes and clusters, surfaces, and catalysis.
Book Synopsis Catalysis without Precious Metals by : R. Morris Bullock
Download or read book Catalysis without Precious Metals written by R. Morris Bullock and published by John Wiley & Sons. This book was released on 2011-08-02 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written for chemists in industry and academia, this ready reference and handbook summarizes recent progress in the development of new catalysts that do not require precious metals. The research thus presented points the way to how new catalysts may ultimately supplant the use of precious metals in some types of reactions, while highlighting the remaining challenges. An essential copanion for organic and catalytic chemists, as well as those working with/on organometallics and graduate students. From the contents: * Catalysis Involving the H' Transfer Reactions of First-Row Transition Metals * Catalytic Reduction of Dinitrogen to Ammonia by Molybdenum Complexes * Molybdenum and Tungsten Catalysts for Hydrogenation, Hydrosilylation and Hydrolysis * Iron in Catalytic Alkene and Carbonyl Hydrogenation Reactions * Olefin Oligomerizations and Polymerizations Catalyzed by Iron and Cobalt Complexes * Cobalt and Nickel Catalyzed Reactions Involving C-H and C-N Activation Reactions * Development of Molecular Electrocatalysts for H2 Oxidation and Production Based on Inexpensive Metals * Nickel-Catalyzed Reductinve Couplings and Cyclizations * Copper-Catalyzed Ligand Promoted Ullmann-Type Coupling Reactions * Copper-Catalyzed Azide-Alkyne Cycloaddition * "Frustrated Lewis Pairs": A Metal-Free Strategy for Hydrogenation Catalysis
Book Synopsis High- and Low-Valent tris-N-Heterocyclic Carbene Iron Complexes by : Carola S. Vogel
Download or read book High- and Low-Valent tris-N-Heterocyclic Carbene Iron Complexes written by Carola S. Vogel and published by Springer Science & Business Media. This book was released on 2012-02-03 with total page 145 pages. Available in PDF, EPUB and Kindle. Book excerpt: Carola Vogel’s PhD thesis focuses on the synthesis, and structural and spectroscopic characterization of the first high valent iron nitride complexes. In her interdisciplinary and collaborative research Carola also describes the reactivity studies of a unique iron (V) nitride complex with water. These studies show that quantitative yields of ammonia are given at ambient conditions. High valent iron nitride and oxo species have been proposed as key intermediates in many bio-catalytic transformations, but until now these species have proven exceedingly challenging to isolate and study. Iron complexes in high oxidation states can thus serve as models for iron-containing enzymes to help us understand biological systems or aid our development of more efficient industrial catalysts.
Book Synopsis Metal Mediated Template Synthesis Of Ligands by : Costisor Otilia
Download or read book Metal Mediated Template Synthesis Of Ligands written by Costisor Otilia and published by World Scientific. This book was released on 2004-04-27 with total page 307 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book surveys the relatively new area of the synthesis of organic ligands when metal ions act as a template. In the last fifty years this field has undergone an explosive development, marked by a great amount of literature. The material in the book has been arranged according to the type of chemical reaction involved. In this frame, the basic principles of metal template reactions and the shape of the molecules are considered. Designed to satisfy the demands of students, young researchers doing their PhDs, and those working in the field of coordination chemistry, the book details the role of the metal ions and the specific properties of the formed complexes.Metal Mediated Template Synthesis of Ligands offers a comprehensive analysis with wide-ranging references and provides an extensive overview of research on metal-directed organic ligands over the past five decades.
Book Synopsis Development of Novel Cyclopentadienone Based Transition Metal Complexes for Catalytic and Electrocatalytic Transfer Hydrogenation of Polar Bonds by : Weiwei Wu
Download or read book Development of Novel Cyclopentadienone Based Transition Metal Complexes for Catalytic and Electrocatalytic Transfer Hydrogenation of Polar Bonds written by Weiwei Wu and published by . This book was released on 2018 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Iron and Cobalt Catalysts by : Wilson D. Shafer
Download or read book Iron and Cobalt Catalysts written by Wilson D. Shafer and published by MDPI. This book was released on 2020-06-23 with total page 414 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since the turn of the last century when the field of catalysis was born, iron and cobalt have been key players in numerous catalysis processes. These metals, due to their ability to activate CO and CH, haev a major economic impact worldwide. Several industrial processes and synthetic routes use these metals: biomass-to-liquids (BTL), coal-to-liquids (CTL), natural gas-to-liquids (GTL), water-gas-shift, alcohol synthesis, alcohol steam reforming, polymerization processes, cross-coupling reactions, and photocatalyst activated reactions. A vast number of materials are produced from these processes, including oil, lubricants, waxes, diesel and jet fuels, hydrogen (e.g., fuel cell applications), gasoline, rubbers, plastics, alcohols, pharmaceuticals, agrochemicals, feed-stock chemicals, and other alternative materials. However, given the true complexities of the variables involved in these processes, many key mechanistic issues are still not fully defined or understood. This Special Issue of Catalysis will be a collaborative effort to combine current catalysis research on these metals from experimental and theoretical perspectives on both heterogeneous and homogeneous catalysts. We welcome contributions from the catalysis community on catalyst characterization, kinetics, reaction mechanism, reactor development, theoretical modeling, and surface science.
Book Synopsis Iron Catalysis in Organic Chemistry by : Bernd Plietker
Download or read book Iron Catalysis in Organic Chemistry written by Bernd Plietker and published by John Wiley & Sons. This book was released on 2008-09-08 with total page 295 pages. Available in PDF, EPUB and Kindle. Book excerpt: This first comprehensive book to cover this exciting field also deals with the biological aspects, such as enzymes with iron. Following an introduction, this handy reference and handbook goes on to deal with reductions, oxidations of C, H- and C=C bonds, oxidative allylic oxygenation and amination, the oxidation of heteroatoms, cross coupling reactions, aromatic and nucleophilic substitutions, addition to carbonyl compounds, and cyclisations as well as ring opening reactions. The chapters are clearly classified according to the reaction type, allowing readers to quickly locate the desired information.
Book Synopsis Iron Chemistry of Hemilabile SNS Ligands by : Uttam Das
Download or read book Iron Chemistry of Hemilabile SNS Ligands written by Uttam Das and published by . This book was released on 2018 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The development of abundant and economical first-row transition metal-based catalysts is an appealing area of research for efficient and selective chemical transformations. In this context, iron complexes are highly desirable as they feature a range of accessible oxidation states allowing for transfer of one or two electrons to or from a substrate. Therefore, over the past two decades, many iron-based catalysts have been developed, extensively studied, and exploited for catalysis ranging from oxidation and reduction to C-C bond forming reactions. In homogeneous transition metal catalysis, the ligand plays a vital role in determining activity and selectivity of the above stated catalytic reactions. Some key features of ligands that support both stoichiometric and catalytic reactions of metal complexes include: 1) strong chelation ability to metals, 2) tunability of donor atoms, 3) strong field ligands such as phosphine, phosphite, CO, and hydride favoring low-spin complexes, 4) hemilability allowing substrate activation via reversible dissociation of one donor atom, and 5) redox-activity enabling donation or accepting of electrons, thus avoiding a change of metal oxidation state. To this end, bifunctional ligands containing the above described properties have emerged as important elements in chemical synthesis and in catalysis. Iron and other transition metal complexes containing multidentate bifunctional ligands have recently been shown to activate small molecules and catalyze a number of chemical transformations with activity and selectivity typical of more well-studied precious metals. The objective of this thesis is to further advance the field of bifunctional ligands by preparing new sterically svelte tridentate ligands with a mixture of hard nitrogen and soft sulfur donors and to investigate their iron chemistry. The overall goal is to then explore the utility of these iron complexes as potential bifunctional catalysts. Chapter 2 describes a one-step synthesis of a new SMeNHS ligand in excellent yield that undergoes ring-opening on treatment with Fe(OTf)2 affording a thiolate-bridged, trinuclear iron complex, [Fe3(μ2-SMeNS−)4](OTf)2. The structure, spectroscopic, magnetic, and computational studies of this iron complex are provided along with its solvent-dependent reactivity towards monodentate donor ligands that yields both dinuclear and mononuclear derivatives. Chapter 3 describes the formation of an electron-rich Fe(II) thiolate complex, [Fe(SMeNS)(PMe3)3](OTf) and its substitution reactivity with both mono- and bidentate donor ligands. On heating this complex, an oxidative thioether Caryl-S bond cleavage is observed, leading to a cationic Fe(III)-CNS thiolate analog. Reduction of this Fe(III) species with cobaltocene yielded a neutral Fe(II)-CNS thiolate complex. To investigate the bifunctional activity of these Fe(II) complexes, both Fe(II)-SNS and -CNS species were assessed as precatalysts for amine-borane dehydrogenation. Chapter 4 employs the SMeNHS ligand in formation of a neutral, imine-coupled Fe-N2S2 complex that serves as an efficient and selective aldehyde hydroboration catalyst using pinacolborane. A reaction profile kinetic analysis implicates the hemilability and redox-active properties of this complex. Chapter 5 introduces the new unsymmetrical amine ligand, SMeNHSMe, and details its iron chemistry with formation of a pseudooctahedral Fe(II) bis(amido) complex. The Mössbauer spectra, MCD study, and DFT calculations support formation of a minor five-coordinate isomer in solution due to the hemilability of the six-membered ring thioether group. Reactivity studies of this Fe(II) species with a variety of donor ligands confirmed this lability and protonation at nitrogen yielded a cationic Fe(II) amine-amido complex. Reaction of the latter with the tridentate phosphine, triphos, gave a 16e-, low-spin, square-pyramidal Fe(II) complex that proved to be a robust precatalyst that is more active for dehydrogenation of dimethylamine-borane vs. ammonia-borane. Formation of a monohydride catalyst resting state under these reaction conditions is suggestive of a bifunctional activation pathway. Finally, Chapter 6 concludes the outcomes of the iron chemistry of hemilabile SNS ligands and discusses future directions and opportunities to extend these ligand systems to other transition metals. The knowledge gained by the stoichiometric and catalytic reactivity of iron-SNS complexes presented herein contributes to our understanding of bifunctional catalysis. With the increasing demand for base metal catalysts in chemical industry for efficient and selective synthesis of value-added chemicals, iron SNS complexes could offer economical, active, and selective catalyst precursors.
Book Synopsis Zinc Catalysis by : Stephan Enthaler
Download or read book Zinc Catalysis written by Stephan Enthaler and published by John Wiley & Sons. This book was released on 2015-04-27 with total page 326 pages. Available in PDF, EPUB and Kindle. Book excerpt: Filling the gap in the market for comprehensive coverage of this hot topic, this timely book covers a wide range of organic transformations, e. g. reductions of unsaturated compounds, oxidation reactions, Friedel-Crafts reactions, hydroamination reactions, depolymerizations, transformations of carbon dioxide, oxidative coupling reactions, as well as C-C, C-N, and C-O bond formation reactions. A chapter on the application of zinc catalysts in total synthesis is also included. With its aim of stimulating further research and discussion in the field, this is a valuable reference for professionals in academia and industry wishing to learn about the latest developments.
Book Synopsis Machine Learning in Chemistry by : Jon Paul Janet
Download or read book Machine Learning in Chemistry written by Jon Paul Janet and published by American Chemical Society. This book was released on 2020-05-28 with total page 189 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent advances in machine learning or artificial intelligence for vision and natural language processing that have enabled the development of new technologies such as personal assistants or self-driving cars have brought machine learning and artificial intelligence to the forefront of popular culture. The accumulation of these algorithmic advances along with the increasing availability of large data sets and readily available high performance computing has played an important role in bringing machine learning applications to such a wide range of disciplines. Given the emphasis in the chemical sciences on the relationship between structure and function, whether in biochemistry or in materials chemistry, adoption of machine learning by chemistsderivations where they are important
