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Computational Advances Of Rh Catalyzed C H Functionalization
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Book Synopsis Computational Advances of Rh-Catalyzed C–H Functionalization by : Yu Lan
Download or read book Computational Advances of Rh-Catalyzed C–H Functionalization written by Yu Lan and published by Springer Nature. This book was released on 2021-02-26 with total page 132 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers a comprehensive overview of recent theoretical studies on rhodium-catalyzed C-H functionalization, a topic that has attracted considerable attention over the years. It includes a brief experimental history, elementary reactions, and theoretical perspectives and describes in detail recent advanced computational studies on different types of Rh-catalyzed C-H functionalization, the underlying mechanisms, and the origin of regioselectivity in a series of such reactions. Providing examples shows readers how to use theoretical tools to solve problems related to mechanisms of organometallic reactions. As such, the book is an interesting and useful resource for a wide readership in various fields involving synthetic organic, organometallic, and catalysis reactions.
Book Synopsis Computational Advances of Rh-catalyzed C-H Functionalization by : Yu Lan
Download or read book Computational Advances of Rh-catalyzed C-H Functionalization written by Yu Lan and published by . This book was released on 2021 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers a comprehensive overview of recent theoretical studies on rhodium-catalyzed C-H functionalization, a topic that has attracted considerable attention over the years. It includes a brief experimental history, elementary reactions, and theoretical perspectives and describes in detail recent advanced computational studies on different types of Rh-catalyzed C-H functionalization, the underlying mechanisms, and the origin of regioselectivity in a series of such reactions. Providing examples shows readers how to use theoretical tools to solve problems related to mechanisms of organometallic reactions. As such, the book is an interesting and useful resource for a wide readership in various fields involving synthetic organic, organometallic, and catalysis reactions.
Book Synopsis Transition-Metal-Catalyzed C-H Functionalization of Heterocycles, 2 Volumes by : Tharmalingam Punniyamurthy
Download or read book Transition-Metal-Catalyzed C-H Functionalization of Heterocycles, 2 Volumes written by Tharmalingam Punniyamurthy and published by John Wiley & Sons. This book was released on 2023-03-28 with total page 1209 pages. Available in PDF, EPUB and Kindle. Book excerpt: Transition-Metal-Catalyzed C-H Functionalization of Heterocycles A comprehensive guide to recent advances in this field Constituting the majority of all known compounds, heterocycles are structures that incorporate one or more heteroatoms within their core, thus exhibiting properties that are quite different from their all-carbon analogs. They are fundamental to all fields of chemistry and, therefore, their synthesis and modification has attracted a great deal of attention in the recent years. In this vein, transition-metal-catalyzed C-H bond functionalization forms a crucial tool for generating and analyzing heterocyclic compounds. Transition-Metal-Catalyzed C-H Functionalization of Heterocycles, Two-Volume Set, showcases diverse C-H functionalization methodologies and their incorporation into the latest research. The chapters serve as an essential tool depicting detailed site-selective functionalization of heterocyclic cores, along with a comprehensive discussion on their mechanistic approaches. Readers of Transition-Metal-Catalyzed C-H Functionalization of Heterocycles, Two-Volume-Set will also find: A detailed introduction to C-H activation along with the mechanistic aspects of transition-metal-catalyzed C-H bond activation reactions Easy-to-use structures with each chapter dedicated to a type of heterocycle and its specific functionalization methodologies A leading team of international authors in C-H bond functionalization Transition-Metal-Catalyzed C-H Functionalization of Heterocycles, Two-Volume-Set is a valuable guide for students and researchers in organic synthesis and process development, in both academic and industrial contexts.
Book Synopsis Computational Methods in Organometallic Catalysis by : Yu Lan
Download or read book Computational Methods in Organometallic Catalysis written by Yu Lan and published by John Wiley & Sons. This book was released on 2021-03-24 with total page 672 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book includes a historical introduction to organometallic chemistry, a survey of mechanisms, and an extensive introduction to quantum mechanical computational methods.
Book Synopsis Computational Investigations of Pd-Catalyzed C-H Functionalization Reactions by : Katherine Lynn Bay
Download or read book Computational Investigations of Pd-Catalyzed C-H Functionalization Reactions written by Katherine Lynn Bay and published by . This book was released on 2020 with total page 138 pages. Available in PDF, EPUB and Kindle. Book excerpt: The use of an inert C-H bond towards the generation of a functional group is advantageous, as these bonds are the most abundant chemical moieties in organic molecules. A one-step conversion of a C-H bond to the desired functionality reduces the number of synthetic steps, which in turn minimizes the use of costly reagents, solvent, and time. Selective activation of a particular C-H bond in an organic molecule where C-H bonds are ubiquitous, however, is a challenging task. Among the most challenging aspects of developing robust C-H functionalization methodologies is identifying catalyst and reagent combinations capable of site-selective as well as stereoselective reactions. Therefore, directed C-H bond functionalization using a directing group and a suitable transition metal is of current interest. Palladium complexes are highly selective and have shown efficiency in various areas of organic synthesis, which make palladium catalysts particularly useful in the field of C-H functionalization. Palladium is incredibly powerful for the construction of carbon-carbon and carbon-heteroatom bonds by C-H activation of aryl and alkyl groups. Palladium-catalyzed ligand-directed C-H functionalization is a key goal towards the synthesis of complex multifunctional substrates. Understanding the mechanism and origins of stereoselectivity of palladium-catalyzed C-H functionalization reactions is essential to progress this field. The collaboration between experiment and computations has provided a deeper mechanistic understanding and insight than any of the isolated techniques can provide. Kinetics and isolation of intermediates provide information on mechanistic pathways, while computations can provide details of both structures and energetics in specific steps in the whole catalytic cycle. Computations have become vital to elucidate structures of molecules, mechanisms, and selectivities of reactions. Due to the rapid development of hardware, software, and theoretical methods, computational chemistry has evolved into a very powerful and routine tool to study complex mechanisms. The work in this thesis has stemmed from several collaborations through the NSF Center for Selective C-H Functionalization (CCHF), which is comprised of synthetic methodologists, physical organic chemists, catalyst developers, enzymologists, computational chemists, and several partners in the pharmaceutical industry. Motivated by the potential of understanding C-H functionalization transformations in order to promote the development of new reactions, this thesis focuses on using computational methods to understand systems of relevance to C-H activation using palladium as a catalyst. Early projects aim to use computations to make proposed models for nonlinear effects to serve as a meaningful mechanistic probe for predicting reaction kinetics (Chapters 1-2). The second section delves into elucidating the mechanisms as well as the role of various substrates, ligands, and oxidants, particularly silver (I) acetate, on how each particular reaction is performed (Chapters 3-6). Later in this thesis, the focus diverges to highlight the elucidation of an enantioselective -C-H functionalization where stereoselectivity arises from attractive aryl-aryl interactions (Chapter 7).
Book Synopsis Remote C-H Bond Functionalizations by : Debabrata Maiti
Download or read book Remote C-H Bond Functionalizations written by Debabrata Maiti and published by John Wiley & Sons. This book was released on 2021-04-26 with total page 450 pages. Available in PDF, EPUB and Kindle. Book excerpt: A guide to contemporary advancements in the field of distal C-H functionalizations An important and dynamic topic within the modern field of organic synthesis, selective functionalization of C-H bonds can be used in a variety of applications across the pharmaceutical and agrochemical industries. Remote C-H Bond Functionalizations presents an inclusive account of the most recent developments and potential applications of performing variegated functionalizations selectively at the distal positions of organic compounds. Featuring contributions by an international team of experts, this authoritative volume provides deep insight into distal functionalizations, including detailed discussion of mechanisms, the engineering of templates, and the design of strategies. The text covers a diverse range of topics including C-H functionalization of palladium/norbornene catalysis, ruthenium-catalyzed remote functionalization, the non-directed distal C(sp2)-H, functionalization, transition metal catalyzed distal para-selective C-H functionalization, and much more. Reviewing contemporary advancements in the field while laying the foundation for future research, this important resource: Provides the most recent research and thorough coverage of the subject available in a single volume Offers practical information on C-H functionalizations in various industries Includes an up-to-date introduction to distal C-H functionalizations Remote C-H Bond Functionalizations is a must-read for every synthetic chemist, including chemists working with organometallics, organic chemists and researchers, and industrial chemists.
Book Synopsis Advances in Organometallic Chemistry by :
Download or read book Advances in Organometallic Chemistry written by and published by Academic Press. This book was released on 2018-05-21 with total page 338 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Organometallic Chemistry, Volume 69, contains authoritative review articles of world renowned researchers in the field of organometallic chemistry. This longstanding serial is known for its comprehensive coverage of topics in organometallic synthesis, reactions, mechanisms, homogeneous catalysis, and more, with this release focusing on topics such as C-H Activation Mediated by Main Group Inorganic and Organometallic Compounds, Transition-metals catalyzed intramolecular amination and hydroamination reactions of allenes, Green Fluorescent Protein-like and related organometallic fluorophores, Recent advances in the synthesis of C- S- bonds via metal‐catalyzed functionalization of C‐ H‐ bonds, Current mechanistic understanding of Co-catalyzed C-H functionalization, and more. The book is ideal for a wide range of researchers involved in organometallic chemistry, including synthetic protocols, mechanistic studies and practical applications. Contains contributions from leading authorities in the field of organometallic chemistry Covers topics in organometallic synthesis, reactions, mechanisms, homogeneous catalysis, and more Informs and updates readers on the latest developments in the field Carefully edited to provide easy-to-read material
Book Synopsis C-H Bond Activation and Catalytic Functionalization I by : Pierre H. Dixneuf
Download or read book C-H Bond Activation and Catalytic Functionalization I written by Pierre H. Dixneuf and published by Springer. This book was released on 2015-12-18 with total page 269 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Computational Methods in Organometallic Catalysis by : Yu Lan
Download or read book Computational Methods in Organometallic Catalysis written by Yu Lan and published by John Wiley & Sons. This book was released on 2021-04-13 with total page 50 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Methods in Organometallic Catalysis Discover recent advances in the mechanistic study of organometallic catalysis In Computational Methods in Organometallic Catalysis: From Elementary Reactions to Mechanisms, distinguished chemist and author Yu Lan delivers a synthesis of the use of calculation methods and experimental techniques to improve the efficiency of reaction and yield of product and to uncover the factors that control the selectivity of product. Providing not only a theoretical overview of organometallic catalysis, the book also describes computational studies for the mechanism of transition-metal-assisted reactions. You’ll learn about Ni-, Pd-, Pt-, Co-, Rh-, Ir-, Fe-, Ru-, Mn-, Cu-, Ag-, and Au- catalysis. You’ll also discover many of the experimental and theoretical advances in organometallic catalysis reported in the recent literature. The book summarizes and generalizes the advances made in the mechanistic study of organometallic catalysis. Readers will also benefit from the inclusion of: A thorough introduction to computational organometallic chemistry, including a brief history of the discipline and the use of computational tools to study the mechanism of organometallic chemistry An exploration of computational methods in organometallic chemistry, including density functional theory methods and basis sets and their application in mechanism studies A practical discussion of elementary reactions in organometallic chemistry, including coordination and dissociation, oxidative addition, reductive elimination, insertion, elimination, transmetallation, and metathesis A concise treatment of the theoretical study of transition-metal catalysis. Perfect for organic, catalytic, complex, and structural chemists, Computational Methods in Organometallic Catalysis will also earn a place in the libraries of theoretical chemists seeking a one-stop organometallic catalysis resource with a focus on the mechanism of transition-metal-assisted reactions.
Download or read book C-H Activation written by Jin-Quan Yu and published by Springer. This book was released on 2010-06-16 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: Table of Contents - Synthesis in the Key of Catellani: Norbornene-Mediated ortho C–H Functionalization - Mechanistic Considerations in the Development and Use of Azine, Diazine and Azole N-Oxides in Palladium-Catalyzed Direct Arylation - Palladium and Copper Catalysis in Regioselective, Intermolecular Coupling of C–H and C–Hal Bonds - Pd-Catalyzed C–H Bond Functionalization on the Indole and Pyrrole Nucleus - Remote C–H Activation via Through-Space Palladium and Rhodium Migrations - Palladium-Catalyzed Aryl–Aryl Bond Formation Through Double C–H Activation - Palladium-Catalyzed Allylic C–H Bond Functionalization of Olefins - Ruthenium-Catalyzed Direct Arylations Through C–H Bond Cleavages - Rhodium-Catalyzed C–H Bond Arylationof Arenes - Cross-Dehydrogenative Coupling Reactions of sp3-Hybridized C–H Bonds - Functionalization of Carbon–Hydrogen Bonds Through Transition Metal Carbenoid Insertion - Metal-Catalyzed Oxidations of C–H to C–N Bonds
Book Synopsis Progress in Inorganic Chemistry, Volume 58 by : Kenneth D. Karlin
Download or read book Progress in Inorganic Chemistry, Volume 58 written by Kenneth D. Karlin and published by John Wiley & Sons. This book was released on 2014-05-05 with total page 534 pages. Available in PDF, EPUB and Kindle. Book excerpt: This series provides inorganic chemists and materials scientists with a forum for critical, authoritative evaluations of advances in every area of the discipline. Volume 58 continues to report recent advances with a significant, up-to-date selection of contributions by internationally-recognized researchers. The chapters of this volume are devoted to the following topics: • Tris(dithiolene) Chemistry: A Golden Jubilee • How to find an HNO needle in a (bio)-chemical Haystack • Photoactive Metal Nitrosyl and Carbonyl Complexes Derived from Designed Auxiliary Ligands: An Emerging Class of Photochemotherapeutics • Metal--Metal Bond-Containing Complexes as Catalysts for C--H Functionalization Iron Catalysis in Synthetic Chemistry • Reactive Transition Metal Nitride Complexes Suitable for inorganic chemists and materials scientists in academia, government, and industries including pharmaceutical, fine chemical, biotech, and agricultural.
Book Synopsis Mechanistic Studies on Transition Metal-Catalyzed C–H Activation Reactions Using Combined Mass Spectrometry and Theoretical Methods by : Gui-Juan Cheng
Download or read book Mechanistic Studies on Transition Metal-Catalyzed C–H Activation Reactions Using Combined Mass Spectrometry and Theoretical Methods written by Gui-Juan Cheng and published by Springer. This book was released on 2017-06-07 with total page 140 pages. Available in PDF, EPUB and Kindle. Book excerpt: This thesis presents detailed mechanistic studies on a series of important C-H activation reactions using combined computational methods and mass spectrometry experiments. It also provides guidance on the design and improvement of catalysts and ligands. The reactions investigated include: (i) a nitrile-containing template-assisted meta-selective C-H activation, (ii) Pd/mono-N-protected amino acid (MPAA) catalyzed meta-selective C-H activation, (iii) Pd/MPAA catalyzed asymmetric C-H activation reactions, and (iv) Cu-catalyzed sp3 C-H cross-dehydrogenative-coupling reaction. The book reports on a novel dimeric Pd-M (M = Pd or Ag) model for reaction (i), which successfully explains the meta-selectivity observed experimentally. For reaction (ii), with a combined DFT/MS method, the author successfully reveals the roles of MPAA ligands and a new C-H activation mechanism, which accounts for the improved reactivity and high meta-selectivity and opens new avenues for ligand design. She subsequently applies ion-mobility mass spectrometry to capture and separate the [Pd(MPAA)(substrate)] complex at different stages for the first time, providing support for the internal-base model for reaction (iii). Employing DFT studies, she then establishes a chirality relay model that can be widely applied to MPAA-assisted asymmetric C-H activation reactions. Lastly, for reaction (iv) the author conducts detailed computational studies on several plausible pathways for Cu/O2 and Cu/TBHP systems and finds a reliable method for calculating the single electron transfer (SET) process on the basis of benchmark studies.
Book Synopsis Rhodium Catalysis by : Carmen Claver
Download or read book Rhodium Catalysis written by Carmen Claver and published by Springer. This book was released on 2017-12-15 with total page 291 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 abbrev iated as Top Organomet Chem and cited as a journal.
Book Synopsis Amide Bond Activation by : Michal Szostak
Download or read book Amide Bond Activation written by Michal Szostak and published by MDPI. This book was released on 2019-07-12 with total page 466 pages. Available in PDF, EPUB and Kindle. Book excerpt: The amide bond represents a privileged motif in chemistry. The recent years have witnessed an explosion of interest in the development of new chemical transformations of amides. These developments cover an impressive range of catalytic N–C bond activation in electrophilic, Lewis acid, radical, and nucleophilic reaction pathways, among other transformations. Equally relevant are structural and theoretical studies that provide the basis for chemoselective manipulation of amidic resonance. This monograph on amide bonds offers a broad survey of recent advances in activation of amides and addresses various approaches in the field.
Book Synopsis Advances in Organometallic Chemistry by : Pedro J. Perez
Download or read book Advances in Organometallic Chemistry written by Pedro J. Perez and published by Academic Press. This book was released on 2019-07-26 with total page 232 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Organometallic Chemistry, Volume 72, contains authoritative review articles of worldwide researchers in organometallic chemistry. This longstanding serial is known for its comprehensive coverage of topics in organometallic synthesis, reactions, mechanisms, homogeneous catalysis, and more. Chapters in this updated release include Propargylidyne and Tricarbido Complexes, Metal carbonyl promoted multicomponent coupling of alkyne for synthesis of heterocyclic compounds, Group 10 metal(0) complexes stabilized by phosphorus and carbon donor ligands, Recent advances in gold catalyzed cycloadditions or Annulations of alkynes to access heterocyclic compounds, and Ion pairing and in situ ligand modification effects on the reactivity of molecular catalysts for olefin polymerization. Contains contributions from leading authorities in the field of organometallic chemistry Covers topics in organometallic synthesis, reactions, mechanisms, homogeneous catalysis, and more Informs and updates readers on the latest developments in the field Carefully edited to provide easy-to-read material
Book Synopsis Transition Metal-Catalyzed Heterocycle Synthesis via C-H Activation by : Xiao-Feng Wu
Download or read book Transition Metal-Catalyzed Heterocycle Synthesis via C-H Activation written by Xiao-Feng Wu and published by John Wiley & Sons. This book was released on 2016-03-07 with total page 596 pages. Available in PDF, EPUB and Kindle. Book excerpt: Reflecting the tremendous growth of this hot topic in recent years, this book covers C-H activation with a focus on heterocycle synthesis. As such, the text provides general mechanistic aspects and gives a comprehensive overview of catalytic reactions in the presence of palladium, rhodium, ruthenium, copper, iron, cobalt, and iridium. The chapters are organized according to the transition metal used and sub-divided by type of heterocycle formed to enable quick access to the synthetic route needed. Chapters on carbonylative synthesis of heterocycles and the application of C-H activation methodology to the synthesis of natural products are also included. Written by an outstanding team of authors, this is a valuable reference for researchers in academia and industry working in the field of organic synthesis, catalysis, natural product synthesis, pharmaceutical chemistry, and crop protection.
Book Synopsis Green Organic Reactions by : Gopinathan Anilkumar
Download or read book Green Organic Reactions written by Gopinathan Anilkumar and published by Springer Nature. This book was released on 2021-03-27 with total page 349 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents important developments and applications of green chemistry, especially in the field of organic chemistry. The chapters give a brief account of green organic reactions in water, green organic reactions using microwave and in solvent-free conditions. In depth discussions on the green aspects of ionic liquids, flow reactions, and recoverable catalysts are provided in this book. An exclusive chapter devoted to green Lewis acid is also included. The potential of supercritical fluids as green solvents in various areas of organic reactions is explained as well. This book will be a valuable reference for beginners as well as advanced researchers interested in green organic chemistry.
