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New Directions in the Modeling of Organometallic Reactions

New Directions in the Modeling of Organometallic Reactions
Author: Agustí Lledós
Publisher: Springer Nature
Total Pages: 276
Release: 2020-11-05
Genre: Science
ISBN: 3030569969

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This book focuses on the computational modeling of organometallic reactivity. In recent years, computational methods, particularly those based on Density Functional Theory (DFT) have been fully incorporated into the toolbox of organometallic chemists’ methods. Nowadays, energy profiles of multistep processes are routinely calculated, and detailed mechanistic pictures of the reactions arise from these calculations. This type of analysis is increasingly performed even by experimentalists themselves. The volume aims to connect established computational organometallics with the more recent theoretical and methodological developments applied to this field. This would allow broadening of the simulation scope toward emergent organometallic areas (as ligand design or photoactivated processes), to narrow the gap between calculations and experiments (microkinetic models) and even to discover new reactions (automated methods). Given the broad interest and extensive application that computational methods have reached within the organometallic community, this new volume will attract the interest of both experimental and computational organometallic chemists.


New Directions in Solid State Chemistry

New Directions in Solid State Chemistry
Author: C. N. R. Rao
Publisher: Cambridge University Press
Total Pages: 568
Release: 1997-02-28
Genre: Science
ISBN: 9780521499071

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In the new edition of this widely praised textbook, all the chapters have been revised and the authors have brought the work completely up to date by the addition of new material on numerous topics. In recent years, solid state chemistry has emerged as a very important element of mainstream chemistry and materials science. Students, teachers and researchers need to understand the chemistry of solids because of the crucial role this plays in determining the properties of materials. An understanding of solid state chemistry is also essential in materials design, and many fascinating relationships between the structure and properties of solids have been discovered by chemists. This text requires only an understanding of basic physics, chemistry and crystallography, and is enhanced with the most recent examples, case studies and references. It will be of value to advanced students and researchers studying solid state chemistry and materials science as a text and reference work.


Polar Organometallic Reagents

Polar Organometallic Reagents
Author: Andrew E. H. Wheatley
Publisher: John Wiley & Sons
Total Pages: 420
Release: 2022-03-14
Genre: Science
ISBN: 1119448824

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Outlines recent advances in the field of polar organometallic chemistry, particularly in the context of the emergent areas of synergic and cooperative species. Polar Organometallic Reagents provides a critical overview of developments in the field of modern polar organometallic chemistry. With a particular focus on the emergent area of synergic heterometallic reagents, this timely volume describes our attempts to understand recently developed polar organometallics and their application in a range of new directions. Contributions from leading researchers present new synthetic work and discuss recent advances in characterization techniques, synthetic applications, and mechanistic understanding of heterometallic complexes. In-depth chapters provide detailed information on fundamental, structural, and theoretical aspects of polar organometallic chemistry while articulating the need and rationale for the advent of new reagents. Topics include alkali and alkaline earth organometallics, synergy and cooperativity, cationic p-block clusters and other developments in main group catalysis, synthetic trends in alkenyl copper, ate complex and borylmetal chemistry, non-traditional reaction environments, and trends in developing greener processes. Designed to keep readers updated with the latest progress in the field, this much-needed book: Includes an introductory chapter outlining the development of synergic bases and the logic behind their creation Highlights the role of solid-state structural work in elucidating the bonding and reactivity displayed by modern polar organometallics Examines the use of calculations in catalyst design and plotting more sustainable reaction pathways Discusses modern trends in solution techniques that have achieved new insights into the structures of active species Presents striking advances in the ease of handling of polar organometallics and the emergence of main group catalysis Polar Organometallic Reagents is essential reading for researchers in chemical disciplines including synthetic inorganic and coordination chemistry, main group chemistry, organometallic chemistry, organic synthesis and catalysis.


Carbocation Chemistry

Carbocation Chemistry
Author: Jie Jack Li
Publisher: CRC Press
Total Pages: 304
Release: 2016-10-03
Genre: Medical
ISBN: 1315353199

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Gives a comprehensive and up-to-date summary of carbocation chemistry. Discusses the widespread applications of carbocation chemistry, with an emphasis on organic synthesis. Contains the contributions of highly experienced authors. Provides a panoramic view of carbocation chemistry, which is part of the foundation of organic chemistry.


Organometallic Chemistry

Organometallic Chemistry
Author: R. C. Mehrotra
Publisher: New Age International
Total Pages: 636
Release: 2007
Genre:
ISBN: 9788122412581

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The Book Is A Revised Edition Of A Lucid And Stimulating Introductory Account Of Organometallic Chemistry, An Exciting And Rapidly Developing Interdisciplinary Branch Of Science.A Characteristic Feature Of This Book Is The Presentation Of An Integrated (Covering Different Facets Usually Dealt With Either In Organic Or/And Inorganic Texts) View Of The Rapidly Developing Field Of Organometallic Chemistry. Attempts Have Been Made To Choose The Latest Examples To Illustrate The Fundamental Properties As Well As The Synthetic Procedures Of Organometallic Chemistry. Other Features Include: (A) An Interesting Brief Historical Background Of The Subject Including Some Quotations From Relevant Nobel Lecture Accounts Of Epoch Making Advances By The Discoverers Themselves, (B) The Adoption As Far As Possible Of The Iupac Rules Of Nomenclature, (C) A Brief Account Of The Rapidly Emerging Organometallic Chemistry Of The F-Elements, And (D) Inclusion Of Study Questions At The End Of Each Chapter.During The Revision Of The Book, The Latest Examples Have Replaced The Older Ones Wherever Feasible. The Book Would Be Extremely Useful As A Basic Text For B.Sc. (Hons.) And M.Sc. Chemistry Students.


The Organometallic Chemistry of the Transition Metals

The Organometallic Chemistry of the Transition Metals
Author: Robert H. Crabtree
Publisher: John Wiley & Sons
Total Pages: 496
Release: 2014-03-28
Genre: Science
ISBN: 1118788249

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Fully updated and expanded to reflect recent advances, the sixth edition of this bestselling text provides students and professional chemists with a comprehensive introduction to the principles and general properties of organometallic compounds, as well as including practical information on reaction mechanisms and detailed descriptions of contemporary applications. Increased focus is given to organic synthesis applications, nanoparticle science, and green chemistry. This edition features: New sections on Multifunctional Ligands, Oxidation Catalysis, and Green Chemistry Expanded discussion on topics from the fifth edition: Supramolecular Chemistry, N-Heterocyclic Carbenes, Coupling Reactions, Organometallic Materials, Applications to Organic Synthesis, and Bioorganometallic Chemistry End-of-chapter problems and their solutions