Computational Advances of Rh-Catalyzed C–H Functionalization

Computational Advances of Rh-Catalyzed C–H Functionalization
Author: Yu Lan
Publisher: Springer Nature
Total Pages: 132
Release: 2021-02-26
Genre: Science
ISBN: 9811604320

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.

Computational Methods in Organometallic Catalysis

Computational Methods in Organometallic Catalysis
Author: Yu Lan
Publisher: John Wiley & Sons
Total Pages: 672
Release: 2021-03-24
Genre: Science
ISBN: 3527346058

The book includes a historical introduction to organometallic chemistry, a survey of mechanisms, and an extensive introduction to quantum mechanical computational methods.

C-H Bond Activation and Catalytic Functionalization I

C-H Bond Activation and Catalytic Functionalization I
Author: Pierre H. Dixneuf
Publisher: Springer
Total Pages: 269
Release: 2015-12-18
Genre: Science
ISBN: 3319246305

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.

Transition-Metal-Catalyzed C-H Functionalization of Heterocycles, 2 Volumes

Transition-Metal-Catalyzed C-H Functionalization of Heterocycles, 2 Volumes
Author: Tharmalingam Punniyamurthy
Publisher: John Wiley & Sons
Total Pages: 1209
Release: 2023-03-28
Genre: Science
ISBN: 1119774152

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.

Advances in Organometallic Chemistry

Advances in Organometallic Chemistry
Author:
Publisher: Academic Press
Total Pages: 340
Release: 2018-05-21
Genre: Science
ISBN: 0128155116

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

Progress in Inorganic Chemistry, Volume 58

Progress in Inorganic Chemistry, Volume 58
Author: Kenneth D. Karlin
Publisher: John Wiley & Sons
Total Pages: 534
Release: 2014-05-05
Genre: Science
ISBN: 1118792823

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.

Advances in Transition-Metal Mediated Heterocyclic Synthesis

Advances in Transition-Metal Mediated Heterocyclic Synthesis
Author: Daniel Sole
Publisher: Academic Press
Total Pages: 368
Release: 2018-05-17
Genre: Science
ISBN: 0128116528

Advances in Transition-Metal Mediated Heterocyclic Synthesis provides an overview of recent catalytic reactions involving transition metals to produce heterocyclic compounds. The book is organized according to the type of transformation used to achieve the synthesis of the heterocyclic systems (mainly aza- and oxa-heterocycles). As such, it covers recent applications on the synthesis of heterocycles, also describing the details of the novel transformations in a didactic manner to motivate readers in search of new catalytic processes. The editors have included state-of-the-art strategies, including transition-metal reactions involving unsaturated systems (reactions of allenes, new gold(I)-catalyzed reactions, and Prins reaction). Chapters highlight the versatility of organopalladium chemistry dealing with carbonylative transformations, C-H activation reactions, coupling processes, and the control of the ambiphilic character of organopalladium species. Finally, the book discusses new reactions leading to heterocycles based on C-H activation processes catalyzed by other metals (Rh, Ru, Co). Written by an outstanding team of authors who are leading experts in organometallic chemistry and organic synthesis, this book is a valuable resource not only for chemists mainly focused on synthesis, but also for those interested in reaction mechanisms involving transition metals. - Helpfully organized by transformation type to stimulate the search for new synthetic processes - Completely illustrated and written by global experts - Includes thoughtfully selected strategies chosen by the editors to exemplify the state-of-the-art of the subject, including transition-metal reactions involving unsaturated systems, organopalladium chemistry, and metal-catalyzed C-H activation

Computational Catalysis

Computational Catalysis
Author: Aravind Asthagiri
Publisher: Royal Society of Chemistry
Total Pages: 277
Release: 2014
Genre: Science
ISBN: 1849734518

This book presents a comprehensive review of the methods and approaches being adopted to push forward the boundaries of computational catalysis.

Amide Bond Activation

Amide Bond Activation
Author: Michal Szostak
Publisher: MDPI
Total Pages: 466
Release: 2019-07-12
Genre: Science
ISBN: 3039212036

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.

Heterogeneous Catalysts

Heterogeneous Catalysts
Author: Wey Yang Teoh
Publisher: John Wiley & Sons
Total Pages: 768
Release: 2021-02-23
Genre: Technology & Engineering
ISBN: 352781356X

Presents state-of-the-art knowledge of heterogeneous catalysts including new applications in energy and environmental fields This book focuses on emerging techniques in heterogeneous catalysis, from new methodology for catalysts design and synthesis, surface studies and operando spectroscopies, ab initio techniques, to critical catalytic systems as relevant to energy and the environment. It provides the vision of addressing the foreseeable knowledge gap unfilled by classical knowledge in the field. Heterogeneous Catalysts: Advanced Design, Characterization and Applications begins with an overview on the evolution in catalysts synthesis and introduces readers to facets engineering on catalysts; electrochemical synthesis of nanostructured catalytic thin films; and bandgap engineering of semiconductor photocatalysts. Next, it examines how we are gaining a more precise understanding of catalytic events and materials under working conditions. It covers bridging pressure gap in surface catalytic studies; tomography in catalysts design; and resolving catalyst performance at nanoscale via fluorescence microscopy. Quantum approaches to predicting molecular reactions on catalytic surfaces follows that, along with chapters on Density Functional Theory in heterogeneous catalysis; first principles simulation of electrified interfaces in electrochemistry; and high-throughput computational design of novel catalytic materials. The book also discusses embracing the energy and environmental challenges of the 21st century through heterogeneous catalysis and much more. Presents recent developments in heterogeneous catalysis with emphasis on new fundamentals and emerging techniques Offers a comprehensive look at the important aspects of heterogeneous catalysis Provides an applications-oriented, bottoms-up approach to a high-interest subject that plays a vital role in industry and is widely applied in areas related to energy and environment Heterogeneous Catalysts: Advanced Design, Characterization and Applications is an important book for catalytic chemists, materials scientists, surface chemists, physical chemists, inorganic chemists, chemical engineers, and other professionals working in the chemical industry.