Understanding Organometallic Reaction Mechanisms And Catalysis

Author: Valentin P. Ananikov
Publisher: John Wiley & Sons
ISBN: 3527678220
Size: 59.51 MB
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Understanding Organometallic Reaction Mechanisms And Catalysis from the Author: Valentin P. Ananikov. Exploring and highlighting the new horizons in the studies of reaction mechanisms that open joint application of experimental studies and theoretical calculations is the goal of this book. The latest insights and developments in the mechanistic studies of organometallic reactions and catalytic processes are presented and reviewed. The book adopts a unique approach, exemplifying how to use experiments, spectroscopy measurements, and computational methods to reveal reaction pathways and molecular structures of catalysts, rather than concentrating solely on one discipline. The result is a deeper understanding of the underlying reaction mechanism and correlation between molecular structure and reactivity. The contributions represent a wealth of first-hand information from renowned experts working in these disciplines, covering such topics as activation of small molecules, C-C and C-Heteroatom bonds formation, cross-coupling reactions, carbon dioxide converison, homogeneous and heterogeneous transition metal catalysis and metal-graphene systems. With the knowledge gained, the reader will be able to improve existing reaction protocols and rationally design more efficient catalysts or selective reactions. An indispensable source of information for synthetic, analytical, and theoretical chemists in academia and industry.

Computational Modeling For Homogeneous And Enzymatic Catalysis

Author: Keiji Morokuma
Publisher: John Wiley & Sons
ISBN: 3527621970
Size: 13.75 MB
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Computational Modeling For Homogeneous And Enzymatic Catalysis from the Author: Keiji Morokuma. Here, the world's most active and productive computational scientists from academia and industry present established, effective and powerful tools for understanding catalysts. With its broad scope -- nitrogen fixation, polymerization, C-H bond activation, oxidations, biocatalysis and much more -- this book represents an extensive knowledge base for designing efficient catalysts, allowing readers to improve the performance of their own catalysts.

Computational Organic Chemistry

Author: Steven M. Bachrach
Publisher: John Wiley & Sons
ISBN: 1118671228
Size: 69.42 MB
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Computational Organic Chemistry from the Author: Steven M. Bachrach. The Second Edition demonstrates how computational chemistry continues to shed new light on organic chemistry The Second Edition of author Steven Bachrach’s highly acclaimed Computational Organic Chemistry reflects the tremendous advances in computational methods since the publication of the First Edition, explaining how these advances have shaped our current understanding of organic chemistry. Readers familiar with the First Edition will discover new and revised material in all chapters, including new case studies and examples. There’s also a new chapter dedicated to computational enzymology that demonstrates how principles of quantum mechanics applied to organic reactions can be extended to biological systems. Computational Organic Chemistry covers a broad range of problems and challenges in organic chemistry where computational chemistry has played a significant role in developing new theories or where it has provided additional evidence to support experimentally derived insights. Readers do not have to be experts in quantum mechanics. The first chapter of the book introduces all of the major theoretical concepts and definitions of quantum mechanics followed by a chapter dedicated to computed spectral properties and structure identification. Next, the book covers: Fundamentals of organic chemistry Pericyclic reactions Diradicals and carbenes Organic reactions of anions Solution-phase organic chemistry Organic reaction dynamics The final chapter offers new computational approaches to understand enzymes. The book features interviews with preeminent computational chemists, underscoring the role of collaboration in developing new science. Three of these interviews are new to this edition. Readers interested in exploring individual topics in greater depth should turn to the book’s ancillary website www.comporgchem.com, which offers updates and supporting information. Plus, every cited article that is available in electronic form is listed with a link to the article.

Hydroformylation

Author: Armin Börner
Publisher: John Wiley & Sons
ISBN: 3527335528
Size: 20.96 MB
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Hydroformylation from the Author: Armin Börner. One of the largest industrial applications of homogeneous catalysis, hydroformylation is the process whereby alkenes react with carbon monoxide and hydrogen at high temperatures in the presence of a transition metal catalyst to yield aldehydes. The resulting products are valuable intermediates in the synthesis of alcohols, esters, amines, and olefins, used in pharmaceutical chemistry and the manufacture of fragrances. This reaction was discovered around 70 years ago, and nowadays some ten million metric tons of aldehydes are produced each year. This up-to-date reference is unique in its comprehensive coverage from fundamentals to applications, summarizing the latest advances and developments in hydroformylation reactions. The two authors are at the forefront of catalysis research, and unite their expertise in synthetic and applied catalysis, as well as theoretical and analytical chemistry. As such, they provide a detailed account of the catalytic systems employed, catalyst stability and recovery, mechanistic investigations, substrate scope, and technical implementation. Chapters on multiphase hydroformylation procedures, tandem hydroformylations and other industrially applied reactions using syngas and carbon monoxide are also included. A must-have reference not only for synthetic chemists working in academic and industrial research, but also for theoreticians and analytical chemists.

Spin States In Biochemistry And Inorganic Chemistry

Author: Marcel Swart
Publisher: John Wiley & Sons
ISBN: 1118898303
Size: 56.84 MB
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Spin States In Biochemistry And Inorganic Chemistry from the Author: Marcel Swart. It has long been recognized that metal spin states play a central role in the reactivity of important biomolecules, in industrial catalysis and in spin crossover compounds. As the fields of inorganic chemistry and catalysis move towards the use of cheap, non-toxic first row transition metals, it is essential to understand the important role of spin states in influencing molecular structure, bonding and reactivity. Spin States in Biochemistry and Inorganic Chemistry provides a complete picture on the importance of spin states for reactivity in biochemistry and inorganic chemistry, presenting both theoretical and experimental perspectives. The successes and pitfalls of theoretical methods such as DFT, ligand-field theory and coupled cluster theory are discussed, and these methods are applied in studies throughout the book. Important spectroscopic techniques to determine spin states in transition metal complexes and proteins are explained, and the use of NMR for the analysis of spin densities is described. Topics covered include: DFT and ab initio wavefunction approaches to spin states Experimental techniques for determining spin states Molecular discovery in spin crossover Multiple spin state scenarios in organometallic reactivity and gas phase reactions Transition-metal complexes involving redox non-innocent ligands Polynuclear iron sulfur clusters Molecular magnetism NMR analysis of spin densities This book is a valuable reference for researchers working in bioinorganic and inorganic chemistry, computational chemistry, organometallic chemistry, catalysis, spin-crossover materials, materials science, biophysics and pharmaceutical chemistry.

Bioorganometallic Chemistry

Author: GĂ©rard Jaouen
Publisher: John Wiley & Sons
ISBN: 3527335277
Size: 25.33 MB
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Bioorganometallic Chemistry from the Author: GĂ©rard Jaouen. An up-to-date reference reflecting the significant advances and important breakthroughs made in this emerging discipline over the last decade. As such, the book provides an overview of the latest developments and future trends in the field, focusing on such applications as the development of potentially active organometallic drugs against incurable diseases, as well as in such areas as catalysis, energy, analytical chemistry, and imaging. The renowned editor, who established the term "bioorganometallics", and his international team of experts have put together a valuable resource for researchers in organometallic, inorganic, medicinal, and biochemistry.

Chemical Synthesis Of Nucleoside Analogues

Author: Pedro Merino
Publisher: John Wiley & Sons
ISBN: 1118498100
Size: 69.17 MB
Format: PDF, ePub
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Chemical Synthesis Of Nucleoside Analogues from the Author: Pedro Merino. Compiles current tested and proven approaches to synthesize novel nucleoside analogues Featuring contributions from leading synthetic chemists from around the world, this book brings together and describes tested and proven approaches for the chemical synthesis of common families of nucleoside analogues. Readers will learn to create new nucleoside analogues with desired therapeutic properties by using a variety of methods to chemically modify natural nucleosides, including: Changes to the heterocyclic base Modification of substituents at the sugar ring Replacement of the furanose ring by a different carbo- or heterocyclic ring Introduction of conformational restrictions Synthesis of enantiomers Preparation of hydrolitically stable C-nucleosides Chemical Synthesis of Nucleoside Analogues covers all the major classes of nucleosides, including pronucleotides, C-nucleosides, carbanucleosides, and PNA monomers which have shown great promise as starting points for the synthesis of nucleoside analogues. The book also includes experimental procedures for key reactions related to the synthesis of nucleoside analogues, providing a valuable tool for the preparation of a number of different compounds. Throughout the book, chemical schemes and figures help readers better understand the chemical structures of nucleoside analogues and the methods used to synthesize them. Extensive references serve as a gateway to the growing body of original research studies and reviews in the field. Synthetically modified nucleosides have proven their value as therapeutic drugs, in particular as antiviral and antitumor agents. However, many of these nucleoside analogues have undesirable side effects. With Chemical Synthesis of Nucleoside Analogues as their guide, researchers have a new tool for synthesizing a new generation of nucleoside analogues that can be used as therapeutic drugs with fewer unwanted side effects.

The Investigation Of Organic Reactions And Their Mechanisms

Author: Howard Maskill
Publisher: John Wiley & Sons
ISBN: 0470994169
Size: 57.50 MB
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The Investigation Of Organic Reactions And Their Mechanisms from the Author: Howard Maskill. A range of alternative mechanisms can usually be postulated for most organic chemical reactions, and identification of the most likely requires detailed investigation. Investigation of Organic Reactions and their Mechanisms will serve as a guide for the trained chemist who needs to characterise an organic chemical reaction and investigate its mechanism, but who is not an expert in physical organic chemistry. Such an investigation will lead to an understanding of which bonds are broken, which are made, and the order in which these processes happen. This information and knowledge of the associated kinetic and thermodynamic parameters are central to the development of safe, efficient, and profitable industrial chemical processes, and to extending the synthetic utility of new chemical reactions in chemical and pharmaceutical manufacturing, and academic environments. Written as a coherent account of the principal methods currently used in mechanistic investigations, at a level accessible to academic researchers and graduate chemists in industry, the book is highly practical in approach. The contributing authors, an international group of expert practitioners of the techniques covered, illustrate their contributions by examples from their own research and from the relevant wider chemical literature. The book covers basic aspects such as product analysis, kinetics, catalysis, and investigation of reactive intermediates. It also includes material on significant recent developments, e.g. computational chemistry, calorimetry, and electrochemistry, in addition to topics of high current industrial relevance, e.g. reactions in multiphase systems, and synthetically useful reactions involving free radicals and catalysis by organometallic compounds.

Molecular Catalysts

Author: Lutz H. Gade
Publisher: John Wiley & Sons
ISBN: 3527673296
Size: 54.93 MB
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Molecular Catalysts from the Author: Lutz H. Gade. Highlighting the key aspects and latest advances in the rapidly developing field of molecular catalysis, this book covers new strategies to investigate reaction mechanisms, the enhancement of the catalysts' selectivity and efficiency, as well as the rational design of well-defined molecular catalysts. The interdisciplinary author team with an excellent reputation within the community discusses experimental and theoretical studies, along with examples of improved catalysts, and their application in organic synthesis, biocatalysis, and supported organometallic catalysis. As a result, readers will gain a deeper understanding of the catalytic transformations, allowing them to adapt the knowledge to their own investigations. With its ideal combination of fundamental and applied research, this is an essential reference for researchers and graduate students both in academic institutions and in the chemical industry. With a foreword by Nobel laureate Roald Hoffmann.

Semiconductor Photocatalysis

Author: Horst Kisch
Publisher: John Wiley & Sons
ISBN: 3527673334
Size: 49.75 MB
Format: PDF
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Semiconductor Photocatalysis from the Author: Horst Kisch. Focusing on the basic principles of semiconductor photocatalysis, this book also gives a brief introduction to photochemistry, photoelectrochemistry, and homogeneous photocatalysis. In addition, the author - one of the leading authorities in the field - presents important environmental and practical aspects. A valuable, one-stop source for all chemists, material scientists, and physicists working in this area, as well as novice researchers entering semiconductor photocatalysis.