Download or read book Electron Transfer Reactions in Organic Chemistry written by Lennart Eberson and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 245 pages. Available in PDF, EPUB and Kindle. Book excerpt: The subject of the book is electron transfer reactions in organic chemistry, with the emphasis on mechanistic aspects. The theoretical framework is that of the Marcus theory, well-known from its extensive use in inorganic chemistry. The book deals with definitions of electron transfer, theory of electron transfer reactions (Marcus' and Pross-Shaik's approach) experimental diagnosis of electron transfer reactions, examples from inorganic/organic reactants and purely organic reactants, electro- and photochemical electron transfer, electron transfer catalyzed reactions, connections between electron transfer and polar mechanisms, and applications of electron transfer, such as electrosynthesis of organic chemicals, photochemical energy storage, conducting organic materials and chemiluminescence. The approach is new in so far as no comparable book has been published. The book will be of value to anyone interested in keeping track of developments in physical organic chemistry.

Download or read book Modern Electronic Structure Theory And Applications In Organic Chemistry written by Ernest R Davidson and published by World Scientific. This book was released on 1997-10-31 with total page 389 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume focuses on the use of quantum theory to understand and explain experiments in organic chemistry. High level ab initio calculations, when properly performed, are useful in making quantitative distinctions between various possible interpretations of structures, reactions and spectra. Chemical reasoning based on simpler quantum models is, however, essential to enumerating the likely possibilities. The simpler models also often suggest the type of wave function likely to be involved in ground and excited states at various points along reaction paths. This preliminary understanding is needed in order to select the appropriate higher level approach since most higher level models are designed to describe improvements to some reasonable zeroth order wave function. Consequently, most of the chapters in this volume begin with experimental facts and model functions and then progress to higher level theory only when quantitative results are required.In the first chapter, Zimmerman discusses a wide variety of thermal and photochemical reactions of organic molecules. Gronert discusses the use of ab initio calculations and experimental facts in deciphering the mechanism of β-elimination reactions in the gas phase. Bettinger et al focus on carbene structures and reactions with comparison of the triplet and singlet states. Next, Hrovat and Borden discuss more general molecules with competitive triplet and singlet contenders for the ground state structure. Cave explains the difficulties and considerations involved with many of the methods and illustrates the difficulties by comparing with the UV spectra of short polyenes. Jordan et al discuss long-range electron transfer using model compounds and model Hamiltonians. Finally, Hiberty discusses the breathing orbital valence bond model as a different approach to introducing the crucial σπ correlation that is known to be important in organic reactions.

Download or read book Electron Flow in Organic Chemistry written by Paul H. Scudder and published by John Wiley & Sons. This book was released on 2013-01-09 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: Sets forth the analytical tools needed to solve key problems in organic chemistry With its acclaimed decision-based approach, Electron Flow in Organic Chemistry enables readers to develop the essential critical thinking skills needed to analyze and solve problems in organic chemistry, from the simple to complex. The author breaks down common mechanistic organic processes into their basic units to explain the core electron flow pathways that underlie these processes. Moreover, the text stresses the use of analytical tools such as flow charts, correlation matrices, and energy surfaces to enable readers new to organic chemistry to grasp the fundamentals at a much deeper level. This Second Edition of Electron Flow in Organic Chemistry has been thoroughly revised, reorganized, and streamlined in response to feedback from both students and instructors. Readers will find more flowcharts, correlation matrices, and algorithms that illustrate key decision-making processes step by step. There are new examples from the field of biochemistry, making the text more relevant to a broader range of readers in chemistry, biology, and medicine. This edition also offers three new chapters: Proton transfer and the principles of stability Important reaction archetypes Qualitative molecular orbital theory and pericyclic reactions The text's appendix features a variety of helpful tools, including a general bibliography, quick-reference charts and tables, pathway summaries, and a major decisions guide. With its emphasis on logical processes rather than memorization to solve mechanistic problems, this text gives readers a solid foundation to approach and solve any problem in organic chemistry.

Download or read book The Electronic Theory of Organic Chemistry written by Michael James Steuart Dewar (Chemist, India, United States) and published by . This book was released on 1949 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book A Textbook of Organic Chemistry written by Joseph Scudder Chamberlain and published by . This book was released on 1928 with total page 946 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Applications of MO Theory in Organic Chemistry written by I.G. Csizmadia and published by Elsevier. This book was released on 2013-09-17 with total page 641 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applications of MO Theory in Organic Chemistry is a documentation of the proceedings of the First Theoretical Organic Chemistry meeting. This text is divided into five sections. Section A contains contributions ranging from the stereochemistry of stable molecules, radicals, and molecular ions, through hydrogen bonding and ion solvation to mathematical analyses of energy hypersurfaces. Section B deals with theoretical studies of organic reactions, including basecatalyzed hydrolysis, protonation, epoxidation, and electrophilic addition to double and triple bonds. Section C consists of topics starting with a qualitative configuration interaction treatment of thermal and photochemical organic reactions, followed by ab initio treatments of photochemical intermediates and a consideration of the role of Rydberg and valence-shell states in photochemistry. Section D provides analyses of methods for the determination and characterization of localized MO and discussions of correlated electron pair functions. Section E covers a very wide range from the application of statistical physics to the treatment of molecular interactions with their environments to a challenge to theoretical organic chemists in the field of natural products, and an introduction to information theory in organic chemistry. This book is a good source of information for students and researchers conducting study on the many areas in theoretical organic chemistry.

Download or read book Introduction to the Electron Theory of Metals written by Uichiro Mizutani and published by Cambridge University Press. This book was released on 2001-06-14 with total page 610 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electron theory of metals textbook for advanced undergraduate students of condensed-matter physics and related disciplines.

Download or read book Orbital Interaction Theory of Organic Chemistry written by Arvi Rauk and published by John Wiley & Sons. This book was released on 2004-04-07 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: A practical introduction to orbital interaction theory and its applications in modern organic chemistry Orbital interaction theory is a conceptual construct that lies at the very heart of modern organic chemistry. Comprising a comprehensive set of principles for explaining chemical reactivity, orbital interaction theory originates in a rigorous theory of electronic structure that also provides the basis for the powerful computational models and techniques with which chemists seek to describe and exploit the structures and thermodynamic and kinetic stabilities of molecules. Orbital Interaction Theory of Organic Chemistry, Second Edition introduces students to the fascinating world of organic chemistry at the mechanistic level with a thoroughly self-contained, well-integrated exposition of orbital interaction theory and its applications in modern organic chemistry. Professor Rauk reviews the concepts of symmetry and orbital theory, and explains reactivity in common functional groups and reactive intermediates in terms of orbital interaction theory. Aided by numerous examples and worked problems, he guides readers through basic chemistry concepts, such as acid and base strength, nucleophilicity, electrophilicity, and thermal stability (in terms of orbital interactions), and describes various computational models for describing those interactions. Updated and expanded, this latest edition of Orbital Interaction Theory of Organic Chemistry includes a completely new chapter on organometallics, increased coverage of density functional theory, many new application examples, and worked problems. The text is complemented by an interactive computer program that displays orbitals graphically and is available through a link to a Web site. Orbital Interaction Theory of Organic Chemistry, Second Edition is an excellent text for advanced-level undergraduate and graduate students in organic chemistry. It is also a valuable working resource for professional chemists seeking guidance on interpreting the quantitative data produced by modern computational chemists.

Download or read book Modern Theories of Organic Chemistry written by H. B. Watson and published by READ BOOKS. This book was released on 2007-03 with total page 228 pages. Available in PDF, EPUB and Kindle. Book excerpt: PREFACE. THE Author of this very practical treatise on Scotch Loch - Fishing desires clearly that it may be of use to all who had it. He does not pretend to have written anything new, but to have attempted to put what he has to say in as readable a form as possible. Everything in the way of the history and habits of fish has been studiously avoided, and technicalities have been used as sparingly as possible. The writing of this book has afforded him pleasure in his leisure moments, and that pleasure would be much increased if he knew that the perusal of it would create any bond of sympathy between himself and the angling community in general. This section is interleaved with blank shects for the readers notes. The Author need hardly say that any suggestions addressed to the case of the publishers, will meet with consideration in a future edition. We do not pretend to write or enlarge upon a new subject. Much has been said and written-and well said and written too on the art of fishing but loch-fishing has been rather looked upon as a second-rate performance, and to dispel this idea is one of the objects for which this present treatise has been written. Far be it from us to say anything against fishing, lawfully practised in any form but many pent up in our large towns will bear us out when me say that, on the whole, a days loch-fishing is the most convenient. One great matter is, that the loch-fisher is depend- ent on nothing but enough wind to curl the water, -and on a large loch it is very seldom that a dead calm prevails all day, -and can make his arrangements for a day, weeks beforehand whereas the stream- fisher is dependent for a good take on the state of the water and however pleasant and easy it may be for one living near the banks of a good trout stream or river, it is quite another matter to arrange for a days river-fishing, if one is looking forward to a holiday at a date some weeks ahead. Providence may favour the expectant angler with a good day, and the water in order but experience has taught most of us that the good days are in the minority, and that, as is the case with our rapid running streams, -such as many of our northern streams are, -the water is either too large or too small, unless, as previously remarked, you live near at hand, and can catch it at its best. A common belief in regard to loch-fishing is, that the tyro and the experienced angler have nearly the same chance in fishing, -the one from the stern and the other from the bow of the same boat. Of all the absurd beliefs as to loch-fishing, this is one of the most absurd. Try it. Give the tyro either end of the boat he likes give him a cast of ally flies he may fancy, or even a cast similar to those which a crack may be using and if he catches one for every three the other has, he may consider himself very lucky. Of course there are lochs where the fish are not abundant, and a beginner may come across as many as an older fisher but we speak of lochs where there are fish to be caught, and where each has a fair chance. Again, it is said that the boatman has as much to do with catching trout in a loch as the angler. Well, we dont deny that. In an untried loch it is necessary to have the guidance of a good boatman but the same argument holds good as to stream-fishing...

Download or read book Electrons and Chemical Bonding written by and published by . This book was released on 1965 with total page 223 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Journal of the American Chemical Society written by American Chemical Society and published by . This book was released on 1922 with total page 1534 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of the Society are included in v. 1-59, 1879-1937.

Download or read book Weakest Bound Electron Theory and Applications written by Neng-Wu Zheng and published by Springer Nature. This book was released on 2023-01-26 with total page 232 pages. Available in PDF, EPUB and Kindle. Book excerpt: This monograph describes the new quantum theory called the weakest bound electron theory (WBE theory) proposed by Prof. Neng-Wu Zheng and its applications. It starts with the fundamentals of quantum mechanics and then illustrates the key points of WBE theory and the mathematical expressions of WBE theory. Finally, it presents a wide range of applications of WBE theory to the chemical and physical properties of atoms and molecules, including energy levels, transition properties, the difference law of ionization energies etc. It appeals to a broad readership, particularly researchers and academics in chemistry, physics, and materials science.

Download or read book Applications of Electronic Structure Theory written by Henry Schaefer and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 470 pages. Available in PDF, EPUB and Kindle. Book excerpt: These two volumes deal with the quantum theory of the electronic structure of ab initio is the notion that approximate solutions molecules. Implicit in the term of Schrodinger's equation are sought "from the beginning," i. e. , without recourse to experimental data. From a more pragmatic viewpoint, the distin guishing feature of ab initio theory is usually the fact that no approximations are involved in the evaluation of the required molecular integrals. Consistent with current activity in the field, the first of these two volumes contains chapters dealing with methods per se, while the second concerns the application of these methods to problems of chemical interest. In a sense, the motivation for these volumes has been the spectacular recent success of ab initio theory in resolving important chemical questions. However, these applications have only become possible through the less visible but equally important efforts of those developing new theoretical and computational methods and models. Henry F. Schaefer vii Contents Contents of Volume 3 xv Chapter 1. A Priori Geometry Predictions 1. A. Pople 1. Introduction . . . . . . . . . . . . . . . . . . . 1 2. Equilibrium Geometries by Hartree-Fock Theory 2 2. 1. Restricted and Unrestricted Hartree-Fock Theories 2 2. 2. Basis Sets for Hartree-Fock Studies . . . . . 4 2. 3. Hartree-Fock Structures for Small Molecules . 6 2. 4. Hartree-Fock Structures for Larger Molecules 12 3. Equilibrium Geometries with Correlation . . 18 4. Predictive Structures for Radicals and Cations 20 5. Conclusions 23 References 24 Chapter 2. Barriers to Rotation and Inversion Philip W. Payne and Leland C.

Download or read book Theories of Organic Chemistry written by Ferdinand August Karl Henrich and published by . This book was released on 1922 with total page 636 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book From Atoms to Molecules written by Colin A. Russell and published by Taylor & Francis. This book was released on 2024-08-01 with total page 331 pages. Available in PDF, EPUB and Kindle. Book excerpt: The focus of this volume by Professor Russell is the history of organic chemistry, which arose improbably out of early speculations about the construction of chemical compounds, and in particular their electrochemical nature. The rise of electrochemistry and the work of Berzelius were critical in this regard, and receive much attention in the first few chapters in this book. Aspects of the contributions of Frankland (fully explored elsewhere) and those of Kekulê and Hofmann are considered, together with the miscellaneous functions of organic synthesis and the origins of conformational analysis. Questions of chemical organisation are germane to the whole sequence of events and are briefly summarized before the whole last hundred years of organic chemistry are placed in historical perspective.

Download or read book Frontier Orbitals and Reaction Paths written by Kenichi Fukui and published by World Scientific. This book was released on 1997 with total page 563 pages. Available in PDF, EPUB and Kindle. Book excerpt: A collection of selected papers on the Frontier Orbital Theory, with introductory notes. It provides the basic concept and formulation of the theory, and the physical and chemical significance of the frontier orbital interactions in chemistry, together with many practical applications. The formulation of the Intrinsic Reaction Coordinate and applications to some simple systems are also presented. The aim of this volume is to show by what forces chemical reactions are driven and to demonstrate how the regio- and stereo-selectivities are determined in chemical reactions. Students and senior investigators will gain insight into the nature of chemical reactions and find out how quantum chemical calculations are connected with chemical intuition.

Download or read book Histories of the Electron written by Jed Z. Buchwald and published by MIT Press. This book was released on 2004-01-30 with total page 536 pages. Available in PDF, EPUB and Kindle. Book excerpt: A biography of the electron and a history of the microphysical world that it opened up.