Synthesis Of Boron Silicon And Phosphorus Lewis Acids And Frustrated Lewis Pair Complexes For C

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Synthesis of Boron, Silicon, and Phosphorus Lewis Acids and Frustrated Lewis Pair Complexes for C

Author : Ian Robert Faulkner Mallov
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (133 download)

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Book Synopsis Synthesis of Boron, Silicon, and Phosphorus Lewis Acids and Frustrated Lewis Pair Complexes for C by : Ian Robert Faulkner Mallov

Download or read book Synthesis of Boron, Silicon, and Phosphorus Lewis Acids and Frustrated Lewis Pair Complexes for C written by Ian Robert Faulkner Mallov and published by . This book was released on 2017 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The recent proliferation of main group catalysts and stoichiometric reagents useful in effecting transformations of organic molecules has been augmented by development of the chemistry of frustrated Lewis pairs (FLPs). In seeking to both complement and emulate the reactivity of transition metal catalysts, both the synthesis of new Lewis acids and FLPs and the discovery of new reactivity with organic substrates has been explored. Boron Lewis acids such as B(C6F5)3 and electrophilic borenium cations are among the most commonly employed main group catalysts, particularly for the hydrogenation of unsaturated bonds. The first chapter of this thesis details explorations in modulating the Lewis acidity of neutral and cationic boron electrophiles by tuning phosphinimine and phosphine-amine ligands. A family of compounds featuring a P-N-B motif are presented. In seeking to broaden the range of main group catalysts, phosphorus Lewis acids have been explored. The third and fourth chapters presented herein detail the synthesis and catalytic activity of electrophilic phosphonium cations (EPCs). Synthesis of a chloride-substituted dication, and ferrocenyl-based mono- and dications are described, with a particular emphasis on their catalytic activity in the deoxygenation of ketones. The fifth chapter details the synthesis of phosphorus cations which attempt to model intermediates in EPC-mediated catalysis. Silylium cations are strongly fluorophilic and have previously been shown to cleave aliphatic C-F bonds. The final chapter presents examples of silylium cations in combination with weak phosphine Lewis bases for the selective cleavage of one C-F bond of an aryl-CF3 functionality. The FLP-captured PhCF2 is then converted to PhCF2H, completing a formal hydrodefluorination process of PhCF3 to PhCF2H. Analogous reactivity is observed with aryl-CF2 compounds.

Frustrated Lewis Pairs II

Author : Gerhard Erker
Publisher : Springer
ISBN 13 : 3642377599
Total Pages : 321 pages
Book Rating : 4.6/5 (423 download)

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Book Synopsis Frustrated Lewis Pairs II by : Gerhard Erker

Download or read book Frustrated Lewis Pairs II written by Gerhard Erker and published by Springer. This book was released on 2013-12-12 with total page 321 pages. Available in PDF, EPUB and Kindle. Book excerpt: Frustrated Lewis Pairs: From Dihydrogen Activation to Asymmetric Catalysis, by Dianjun Chen, Jürgen Klankermayer Coexistence of Lewis Acid and Base Functions: A Generalized View of the Frustrated Lewis Pair Concept with Novel Implications for Reactivity, by Heinz Berke, Yanfeng Jiang, Xianghua Yang, Chunfang Jiang, Subrata Chakraborty, Anne Landwehr New Organoboranes in "Frustrated Lewis Pair" Chemistry, by Zhenpin Lu, Hongyan Ye, Huadong Wang Paracyclophane Derivatives in Frustrated Lewis Pair Chemistry, by Lutz Greb, Jan Paradies Novel Al-Based FLP Systems, by Werner Uhl, Ernst-Ulrich Würthwein N-Heterocyclic Carbenes in FLP Chemistry, by Eugene L. Kolychev, Eileen Theuergarten, Matthias Tamm Carbon-Based Frustrated Lewis Pairs, by Shabana Khan, Manuel Alcarazo Selective C-H Activations Using Frustrated Lewis Pairs. Applications in Organic Synthesis, by Paul Knochel, Konstantin Karaghiosoff, Sophia Manolikakes FLP-Mediated Activations and Reductions of CO2 and CO, by Andrew E. Ashley, Dermot O’Hare Radical Frustrated Lewis Pairs, by Timothy H. Warren and Gerhard Erker Polymerization by Classical and Frustrated Lewis Pairs, by Eugene Y.-X. Chen Frustrated Lewis Pairs Beyond the Main Group: Transition Metal-Containing Systems, by D. Wass Reactions of Phosphine-Boranes and Related Frustrated Lewis Pairs with Transition Metal Complexes, by Abderrahmane Amgoune, Ghenwa Bouhadir, Didier Bourissou

Frustrated Lewis Pairs I

Author : Gerhard Erker
Publisher : Springer
ISBN 13 : 364236697X
Total Pages : 354 pages
Book Rating : 4.6/5 (423 download)

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Book Synopsis Frustrated Lewis Pairs I by : Gerhard Erker

Download or read book Frustrated Lewis Pairs I written by Gerhard Erker and published by Springer. This book was released on 2014-07-08 with total page 354 pages. Available in PDF, EPUB and Kindle. Book excerpt: Discovery of Frustrated Lewis Pairs: Intermolecular FLPs for Activation of Small Molecules, by Douglas W. Stephan Intramolecular Frustrated Lewis Pairs: Formation and Chemical Features, by Gerald Kehr, Sina Schwendemann, Gerhard Erker Frustrated Lewis Pair Mediated Hydrogenations, by Douglas W. Stephan, Gerhard Erker Amine-Borane Mediated Metal-Free Hydrogen Activation and Catalytic Hydrogenation, by Victor Sumerin, Konstantin Chernichenko, Felix Schulz, Markku Leskelä, Bernhard Rieger, Timo Repo Hydrogen Activation by Frustrated Lewis Pairs: Insights from Computational Studies, by Tibor András Rokob, Imre Pápai Quantum Chemistry of FLPs and Their Activation of Small Molecules: Methodological Aspects, by Birgitta Schirmer, Stefan Grimme Computational Design of Metal-Free Molecules for Activation of Small Molecules, Hydrogenation, and Hydroamination, by Zhi-Xiang Wang, Lili Zhao, Gang Lu, Haixia Li, Fang Huang Computational Studies of Lewis Acidity and Basicity in Frustrated Lewis Pairs, by Thomas M. Gilbert Solid-State NMR as a Spectroscopic Tool for Characterizing Phosphane - Borane Frustrated Lewis Pairs, by Thomas Wiegand, Hellmut Eckert, Stefan Grimme

Highly Electrophilic Phosphorus(V) Cations as Robust Lewis Acids in Catalysis and Frustrated Lewis Pair Chemistry

Author : Julia Margaret Bayne
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (133 download)

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Book Synopsis Highly Electrophilic Phosphorus(V) Cations as Robust Lewis Acids in Catalysis and Frustrated Lewis Pair Chemistry by : Julia Margaret Bayne

Download or read book Highly Electrophilic Phosphorus(V) Cations as Robust Lewis Acids in Catalysis and Frustrated Lewis Pair Chemistry written by Julia Margaret Bayne and published by . This book was released on 2019 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Catalysts are critical to the production of desirable chemicals and materials that are used to manufacture goods which are essential to our modern economy. Efforts to decrease our reliance on precious metal catalysts has led to the proliferation of main group species and the development of the chemistry of frustrated Lewis pairs (FLPs). While the literature is dominated with reports of strong Lewis acids based on Group 13 elements (e.g. Al, B), Group 15, namely phosphorus-based Lewis acids, are emerging as viable alternatives. The graduate work presented in this thesis expands the scope of phosphorus-based Lewis acids to encompass more robust, yet reactive species for applications in catalysis and FLP chemistry, allowing access to unprecedented reactivity for electrophilic phosphorous cations (EPCs). The first chapter of this thesis details the exploration of fluoro pyridiniumphosphonium mono- and dications as efficient Lewis acid catalysts for a range of Lewis acid-catalyzed organic transformations. Following is the second chapter, which explores the synthesis of more robust EPCs and their applications in catalysis and as initiators for the Mukaiyama-Aldol condensation reaction. In the third chapter, P3-trimethylated tricationic species, accessed from the well-known triphos ligands, are synthesized and their catalytic capabilities are explored in reductive amination reactions. As well, preliminary results are presented wherein C-F bond activation and functionalization are also realized with these robust EPCs. The application of phosphorus(V)-based Lewis acids is then expanded to encompass FLP chemistry, wherein the last chapter discloses the synthesis and reactivity of rare all-phosphorus based FLPs. The reactivity of these FLPs has been exploited in E-H (E = Si, B, C, H) bond activation reactions. Initial attempts to develop related N/P FLPs have also been discussed.

Boron-based Lewis Acids

Author : Jolie Lam
Publisher :
ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.:/5 (133 download)

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Book Synopsis Boron-based Lewis Acids by : Jolie Lam

Download or read book Boron-based Lewis Acids written by Jolie Lam and published by . This book was released on 2020 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: A rapid development of metal-free, main group compounds for small molecule activation and as hydrogenation catalysts was triggered after the disclosure of H2 activation by sterically hindered Lewis acids and bases over a decade ago. The combination of a Lewis acid and base with unquenched reactivity was later coined as a "frustrated Lewis pair" (FLP). In this research, boron-based Lewis acids were studied for their application as catalysts in FLP chemistry, with an emphasis on exploring the production of chiral FLPs and intramolecular FLPs. In the exploration towards enantioselective catalysis, 3,5-bicyclic aryl piperidines were synthetically modified to produce B/N FLPs and were shown to activate dihydrogen, demonstrating the potential for expanding chiral FLP templates beyond the typical chiral ligands used in transition metal complexes. Chiral borenium cations were generated from different families of carbene-borane adducts, in which their chirality resides on either the carbene or the borane. Catalytic studies found that they were able to effect imine reduction without epimerisation of the resulting chiral amine, and the reactivity and enantioselectivity of these cations were found to be inversely proportional to steric demands. In the exploration towards a cationic intramolecular FLP, a borenium cation with a pendant phosphine was synthesized through hydroboration of a phosphinoalkene with an isolable B-H borenium cation, and its FLP reactivity was investigated. Finally, initial efforts towards the production of a bisborane-carbene as a tri-functionalized FLP were documented.

Frustrated Lewis Pairs

Author : J. Chris Slootweg
Publisher : Springer Nature
ISBN 13 : 3030588882
Total Pages : 404 pages
Book Rating : 4.0/5 (35 download)

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Book Synopsis Frustrated Lewis Pairs by : J. Chris Slootweg

Download or read book Frustrated Lewis Pairs written by J. Chris Slootweg and published by Springer Nature. This book was released on 2020-11-22 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume highlights the latest research in frustrated Lewis pair (FLP) chemistry and its applications. The contributions present the recent developments of the use of FLPs in asymmetric catalysis, polymer synthesis, homogeneous and heterogeneous catalysis, as well as demonstrating their use as a pedagogical tool. The book will be of interest to researchers in academia and industry alike.

Frustrated Lewis Pairs

Author : J. Chris Slootweg
Publisher : Springer
ISBN 13 : 9783030588908
Total Pages : 404 pages
Book Rating : 4.5/5 (889 download)

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Book Synopsis Frustrated Lewis Pairs by : J. Chris Slootweg

Download or read book Frustrated Lewis Pairs written by J. Chris Slootweg and published by Springer. This book was released on 2021-11-23 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume highlights the latest research in frustrated Lewis pair (FLP) chemistry and its applications. The contributions present the recent developments of the use of FLPs in asymmetric catalysis, polymer synthesis, homogeneous and heterogeneous catalysis, as well as demonstrating their use as a pedagogical tool. The book will be of interest to researchers in academia and industry alike.

A Primer in Frustrated Lewis Pair Hydrogenation: Concepts to Applications

Author : Douglas W. Stephan
Publisher : Royal Society of Chemistry
ISBN 13 : 1839162449
Total Pages : 185 pages
Book Rating : 4.8/5 (391 download)

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Book Synopsis A Primer in Frustrated Lewis Pair Hydrogenation: Concepts to Applications by : Douglas W. Stephan

Download or read book A Primer in Frustrated Lewis Pair Hydrogenation: Concepts to Applications written by Douglas W. Stephan and published by Royal Society of Chemistry. This book was released on 2021-11-17 with total page 185 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written for senior undergraduate and graduate students, as well as those chemists unfamiliar with "frustrated Lewis pairs (FLPs)", this text serves as an introduction to the both the concept and application of FLPs in hydrogenation catalysis. The book begins by setting the stage as it was around the turn of the century. While the dramatic impacts of catalysis were undeniable, there was dependence of such technologies on transition metal chemistry. Contrastingly, the chemistry of main group elements was dominated by Lewis acid-base behavior. However, these perceptions were altered with the discovery of the ability of "frustrated Lewis pairs (FLPs)" to activate dihydrogen. The basic features, and mechanisms of action of these unique main group systems are chronicled, while the evolution of the initial findings to applications in catalytic hydrogenation is discussed. A subsequent chapter focuses on the breadth of organic substrates for which borane based FLP hydrogenations are effective. This is furthered with a chapter on the metal-free enantioselective reductions. FLP chemistry is not limited to systems involving boranes and this book also catalogues a range of FLP hydrogenation catalysts involving elements from across the periodic table. The final chapter in the book describes other directions of interest where the application of the concept of FLPs hydrogenation are beginning to emerge. Ideal for course use and self study, this book provides synthetic chemists with a fresh, expert introduction to the field. The reader will be left recognizing that hydrogenation catalysts is a domain no longer limited to transition metals.

Evolution of the Frustrated Lewis Pair Paradigm

Author : Andy M. Chapman
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (817 download)

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Book Synopsis Evolution of the Frustrated Lewis Pair Paradigm by : Andy M. Chapman

Download or read book Evolution of the Frustrated Lewis Pair Paradigm written by Andy M. Chapman and published by . This book was released on 2011 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: This thesis has sought to develop the field of small-molecule activation via the rational evolution of the principle of Frustrated Lewis Pairs. In the first instance, Chapter 1 serves to give a brief introduction into the field of small molecule activation by transition metals and FLPs, with a particular focus on the most challenging and impacting small molecule substrates. Chapter 2 [1] explores the concept of frustrated Lewis pairs and Lewis acidity in more detail and specifically, the structure-reactivity trends of boron Lewis acids in FLP systems with respect to the reversible binding of H2. The motivation for this research was to develop a series of linked phosphino-borinate FLPs with a view to generating systems that may activate hydrogen in a reversible manner, furthering the scope for this class of compounds in hydrogen storage applications. Chapter 3 [2] is a continuation on the previous theme; modifying the Lewis acid component of an FLP system to facilitate previously unseen transformations and address some of the issues of existing systems. More specifically, to address the lack of catalytic systems based on the FLP paradigm. To that end, a series of cationic phosphino-aryl(alky)oxymetallocenes (PAMs) was targeted with the hypothesis that these compounds would behave as transition metal-main group FLPs. Correspondingly, the limit of this semblance to the FLP was investigated in depth in Chapter 4 [3] by demonstrating that a wide range of the reactions reported for main group FLPs could be affected by PAM complexes. In addition, several other novel reactivity patterns were discovered that are so far unprecedented for the main group analogues. In the final chapter [4], the benefits of including the unique properties of the transition metals in PAM complexes is demonstrated by an in depth study into their utility as catalysts for the dehydrogenation of amine-boranes. The fact that this reaction is only known in a stoichiometric sense for the main group systems is testament to the success of the original thesis.

Ionic Liquids II

Author : Barbara Kirchner
Publisher : Springer
ISBN 13 : 3319897942
Total Pages : 295 pages
Book Rating : 4.3/5 (198 download)

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Book Synopsis Ionic Liquids II by : Barbara Kirchner

Download or read book Ionic Liquids II written by Barbara Kirchner and published by Springer. This book was released on 2018-09-03 with total page 295 pages. Available in PDF, EPUB and Kindle. Book excerpt: The series Topics in Current Chemistry Collections presents critical reviews from the journal Topics in Current Chemistry organized in topical volumes. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. The chapters “Ionic Liquid–Liquid Chromatography: A New General Purpose Separation Methodology”, “Proteins in Ionic Liquids: Current Status of Experiments and Simulations”, “Lewis Acidic Ionic Liquids” and "Quantum Chemical Modeling of Hydrogen Bonding in Ionic Liquids" are available open access under a Creative Commons Attribution 4.0 International License via link.springer.com.

Organophosphorus Chemistry

Author : György Keglevich
Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 3110535831
Total Pages : 324 pages
Book Rating : 4.1/5 (15 download)

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Book Synopsis Organophosphorus Chemistry by : György Keglevich

Download or read book Organophosphorus Chemistry written by György Keglevich and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-04-09 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt: Organophosphorus Chemistry presents a groundbreaking resource in this branch of organic chemistry that demonstrates how phosphorus-containing compounds can be manipulated in a variety of organic reactions. The authors give an overview of the newest trends and synthesis strategies, introduce bioactive and environmentally friendly organophosphorus compounds and show their importance in mainstream organic chemistry.

Phosphorus-31 NMR Spectroscopy

Author : Olaf Kühl
Publisher : Springer Science & Business Media
ISBN 13 : 3540791183
Total Pages : 138 pages
Book Rating : 4.5/5 (47 download)

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Book Synopsis Phosphorus-31 NMR Spectroscopy by : Olaf Kühl

Download or read book Phosphorus-31 NMR Spectroscopy written by Olaf Kühl and published by Springer Science & Business Media. This book was released on 2008-08-22 with total page 138 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nuclear Magnetic Resonance is a powerful tool, especially for the identification of 1 13 hitherto unknown organic compounds. H- and C-NMR spectroscopy is known and applied by virtually every synthetically working Organic Chemist. Con- quently, the factors governing the differences in chemical shift values, based on chemical environment, bonding, temperature, solvent, pH, etc. , are well understood, and specialty methods developed for almost every conceivable structural challenge. Proton and carbon NMR spectroscopy is part of most bachelors degree courses, with advanced methods integrated into masters degree and other graduate courses. In view of this universal knowledge about proton and carbon NMR spectr- copy within the chemical community, it is remarkable that heteronuclear NMR is still looked upon as something of a curiosity. Admittedly, most organic compounds contain only nitrogen, oxygen, and sulfur atoms, as well as the obligatory hydrogen and carbon atoms, elements that have an unfavourable isotope distribution when it comes to NMR spectroscopy. Each of these three elements has a dominant isotope: 14 16 32 16 32 N (99. 63% natural abundance), O (99. 76%), and S (95. 02%), with O, S, and 34 14 S (4. 21%) NMR silent. N has a nuclear moment I = 1 and a sizeable quadrupolar moment that makes the NMR signals usually very broad and dif cult to analyse.

Activation of Small Molecules

Author : William B. Tolman
Publisher : John Wiley & Sons
ISBN 13 : 3527609377
Total Pages : 382 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Activation of Small Molecules by : William B. Tolman

Download or read book Activation of Small Molecules written by William B. Tolman and published by John Wiley & Sons. This book was released on 2006-12-13 with total page 382 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first to combine both the bioinorganic and the organometallic view, this handbook provides all the necessary knowledge in one convenient volume. Alongside a look at CO2 and N2 reduction, the authors discuss O2, NO and N2O binding and reduction, activation of H2 and the oxidation catalysis of O2. Edited by the highly renowned William Tolman, who has won several awards for his research in the field.

Main Group Strategies towards Functional Hybrid Materials

Author : Thomas Baumgartner
Publisher : John Wiley & Sons
ISBN 13 : 1119235979
Total Pages : 557 pages
Book Rating : 4.1/5 (192 download)

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Book Synopsis Main Group Strategies towards Functional Hybrid Materials by : Thomas Baumgartner

Download or read book Main Group Strategies towards Functional Hybrid Materials written by Thomas Baumgartner and published by John Wiley & Sons. This book was released on 2018-03-12 with total page 557 pages. Available in PDF, EPUB and Kindle. Book excerpt: Showcases the highly beneficial features arising from the presence of main group elements in organic materials, for the development of more sophisticated, yet simple advanced functional materials Functional organic materials are already a huge area of academic and industrial interest for a host of electronic applications such as Organic Light-Emitting Diodes (OLEDs), Organic Photovoltaics (OPVs), Organic Field-Effect Transistors (OFETs), and more recently Organic Batteries. They are also relevant to a plethora of functional sensory applications. This book provides an in-depth overview of the expanding field of functional hybrid materials, highlighting the incredibly positive aspects of main group centers and strategies that are furthering the creation of better functional materials. Main Group Strategies towards Functional Hybrid Materials features contributions from top specialists in the field, discussing the molecular, supramolecular and polymeric materials and applications of boron, silicon, phosphorus, sulfur, and their higher homologues. Hypervalent materials based on the heavier main group elements are also covered. The structure of the book allows the reader to compare differences and similarities between related strategies for several groups of elements, and to draw crosslinks between different sections. The incorporation of main group elements into functional organic materials has emerged as an efficient strategy for tuning materials properties for a wide range of practical applications Covers molecular, supramolecular and polymeric materials featuring boron, silicon, phosphorus, sulfur, and their higher homologues Edited by internationally leading researchers in the field, with contributions from top specialists Main Group Strategies towards Functional Hybrid Materials is an essential reference for organo-main group chemists pursuing new advanced functional materials, and for researchers and graduate students working in the fields of organic materials, hybrid materials, main group chemistry, and polymer chemistry.

Organic Reaction Mechanisms 2018

Author : Mark G. Moloney
Publisher : John Wiley & Sons
ISBN 13 : 1119532000
Total Pages : 692 pages
Book Rating : 4.1/5 (195 download)

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Book Synopsis Organic Reaction Mechanisms 2018 by : Mark G. Moloney

Download or read book Organic Reaction Mechanisms 2018 written by Mark G. Moloney and published by John Wiley & Sons. This book was released on 2021-08-17 with total page 692 pages. Available in PDF, EPUB and Kindle. Book excerpt: Organic Reaction Mechanisms 2018, the 54th annual volume in this highly successful and unique series, surveys research on organic reaction mechanisms described in the available literature dated 2018. The following classes of organic reaction mechanisms are comprehensively reviewed: Reaction of Aldehydes and Ketones and their Derivatives Reactions of Carboxylic, Phosphoric, and Sulfonic Acids and their Derivatives Oxidation and Reduction Carbenes and Nitrenes Nucleophilic Aromatic Substitution Electrophilic Aromatic Substitution Carbocations Nucleophilic Aliphatic Substitution Carbanions and Electrophilic Aliphatic Substitution Elimination Reactions Polar Addition Reactions Cycloaddition Reactions Molecular Rearrangements Transition Metal Coupling Radical Reactions An experienced team of authors compile these reviews every year, so that the reader can rely on a continuing quality of selection and presentation.

Hydrogen Transfer Reactions

Author : Gabriela Guillena
Publisher : Springer
ISBN 13 : 3319430513
Total Pages : 393 pages
Book Rating : 4.3/5 (194 download)

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Book Synopsis Hydrogen Transfer Reactions by : Gabriela Guillena

Download or read book Hydrogen Transfer Reactions written by Gabriela Guillena and published by Springer. This book was released on 2016-09-27 with total page 393 pages. Available in PDF, EPUB and Kindle. Book excerpt: The series Topics in Current Chemistry Collections presents critical reviews from the journal Topics in Current Chemistry organized in topical volumes. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field.

Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics

Author : Bruce J Berne
Publisher : World Scientific
ISBN 13 : 9814496057
Total Pages : 881 pages
Book Rating : 4.8/5 (144 download)

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Book Synopsis Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics by : Bruce J Berne

Download or read book Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics written by Bruce J Berne and published by World Scientific. This book was released on 1998-06-17 with total page 881 pages. Available in PDF, EPUB and Kindle. Book excerpt: The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.