Molecular Orbitals and Organic Chemical Reactions

Reference Edition

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Author: Ian Fleming

Publisher: John Wiley & Sons

ISBN: 1119964679

Category: Science

Page: 526

View: 1842

Winner of the PROSE Award for Chemistry & Physics 2010 Acknowledging the very best in professional and scholarly publishing, the annual PROSE Awards recognise publishers' and authors' commitment to pioneering works of research and for contributing to the conception, production, and design of landmark works in their fields. Judged by peer publishers, librarians, and medical professionals, Wiley are pleased to congratulate Professor Ian Fleming, winner of the PROSE Award in Chemistry and Physics for Molecular Orbitals and Organic Chemical Reactions. Molecular orbital theory is used by chemists to describe the arrangement of electrons in chemical structures. It is also a theory capable of giving some insight into the forces involved in the making and breaking of chemical bonds—the chemical reactions that are often the focus of an organic chemist's interest. Organic chemists with a serious interest in understanding and explaining their work usually express their ideas in molecular orbital terms, so much so that it is now an essential component of every organic chemist's skills to have some acquaintance with molecular orbital theory. Molecular Orbitals and Organic Chemical Reactions is both a simplified account of molecular orbital theory and a review of its applications in organic chemistry; it provides a basic introduction to the subject and a wealth of illustrative examples. In this book molecular orbital theory is presented in a much simplified, and entirely non-mathematical language, accessible to every organic chemist, whether student or research worker, whether mathematically competent or not. Topics covered include: Molecular Orbital Theory Molecular Orbitals and the Structures of Organic Molecules Chemical Reactions — How Far and How Fast Ionic Reactions — Reactivity Ionic Reactions — Stereochemistry Pericyclic Reactions Radical Reactions Photochemical Reactions This expanded Reference Edition of Molecular Orbitals and Organic Chemical Reactions takes the content and the same non-mathematical approach of the Student Edition, and adds extensive extra subject coverage, detail and over 1500 references. The additional material adds a deeper understanding of the models used, and includes a broader range of applications and case studies. Providing a complete in-depth reference for a more advanced audience, this edition will find a place on the bookshelves of researchers and advanced students of organic, physical organic and computational chemistry. The student edition of Molecular Orbitals and Organic Chemical Reactions presents molecular orbital theory in a simplified form, and offers an invaluable first textbook on this important subject for students of organic, physical organic and computational chemistry. Further information can be viewed here. "These books are the result of years of work, which began as an attempt to write a second edition of my 1976 book Frontier Orbitals and Organic Chemical Reactions. I wanted to give a rather more thorough introduction to molecular orbitals, while maintaining my focus on the organic chemist who did not want a mathematical account, but still wanted to understand organic chemistry at a physical level. I'm delighted to win this prize, and hope a new generation of chemists will benefit from these books." -Professor Ian Fleming

Molecular Orbitals and Organic Chemical Reactions

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Author: Ian Fleming

Publisher: John Wiley & Sons

ISBN: 1119964652

Category: Science

Page: 376

View: 9303

Winner of the PROSE Award for Chemistry & Physics 2010 Acknowledging the very best in professional and scholarly publishing, the annual PROSE Awards recognise publishers' and authors' commitment to pioneering works of research and for contributing to the conception, production, and design of landmark works in their fields. Judged by peer publishers, librarians, and medical professionals, Wiley are pleased to congratulate Professor Ian Fleming, winner of the PROSE Award in Chemistry and Physics for Molecular Orbitals and Organic Chemical Reactions. Molecular orbital theory is used by chemists to describe the arrangement of electrons in chemical structures. It is also a theory capable of giving some insight into the forces involved in the making and breaking of chemical bonds—the chemical reactions that are often the focus of an organic chemist's interest. Organic chemists with a serious interest in understanding and explaining their work usually express their ideas in molecular orbital terms, so much so that it is now an essential component of every organic chemist's skills to have some acquaintance with molecular orbital theory. Molecular Orbitals and Organic Chemical Reactions is both a simplified account of molecular orbital theory and a review of its applications in organic chemistry; it provides a basic introduction to the subject and a wealth of illustrative examples. In this book molecular orbital theory is presented in a much simplified, and entirely non-mathematical language, accessible to every organic chemist, whether student or research worker, whether mathematically competent or not. Topics covered include: Molecular Orbital Theory Molecular Orbitals and the Structures of Organic Molecules Chemical Reactions — How Far and How Fast Ionic Reactions — Reactivity Ionic Reactions — Stereochemistry Pericyclic Reactions Radical Reactions Photochemical Reactions Slides for lectures and presentations are available on the supplementary website: www.wiley.com/go/fleming_student Molecular Orbitals and Organic Chemical Reactions: Student Edition is an invaluable first textbook on this important subject for students of organic, physical organic and computational chemistry. The Reference Edition edition takes the content and the same non-mathematical approach of the Student Edition, and adds extensive extra subject coverage, detail and over 1500 references. The additional material adds a deeper understanding of the models used, and includes a broader range of applications and case studies. Providing a complete in-depth reference for a more advanced audience, this edition will find a place on the bookshelves of researchers and advanced students of organic, physical organic and computational chemistry. Further information can be viewed here. "These books are the result of years of work, which began as an attempt to write a second edition of my 1976 book Frontier Orbitals and Organic Chemical Reactions. I wanted to give a rather more thorough introduction to molecular orbitals, while maintaining my focus on the organic chemist who did not want a mathematical account, but still wanted to understand organic chemistry at a physical level. I'm delighted to win this prize, and hope a new generation of chemists will benefit from these books." -Professor Ian Fleming

Molecular Orbitals and Organic Chemical Reactions

Reference Edition

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Author: Ian Fleming

Publisher: Wiley

ISBN: 9780470746585

Category: Science

Page: 528

View: 2228

Winner of the PROSE Award for Chemistry & Physics 2010 Acknowledging the very best in professional and scholarly publishing, the annual PROSE Awards recognise publishers' and authors' commitment to pioneering works of research and for contributing to the conception, production, and design of landmark works in their fields. Judged by peer publishers, librarians, and medical professionals, Wiley are pleased to congratulate Professor Ian Fleming, winner of the PROSE Award in Chemistry and Physics for Molecular Orbitals and Organic Chemical Reactions. Molecular orbital theory is used by chemists to describe the arrangement of electrons in chemical structures. It is also a theory capable of giving some insight into the forces involved in the making and breaking of chemical bonds—the chemical reactions that are often the focus of an organic chemist's interest. Organic chemists with a serious interest in understanding and explaining their work usually express their ideas in molecular orbital terms, so much so that it is now an essential component of every organic chemist's skills to have some acquaintance with molecular orbital theory. Molecular Orbitals and Organic Chemical Reactions is both a simplified account of molecular orbital theory and a review of its applications in organic chemistry; it provides a basic introduction to the subject and a wealth of illustrative examples. In this book molecular orbital theory is presented in a much simplified, and entirely non-mathematical language, accessible to every organic chemist, whether student or research worker, whether mathematically competent or not. Topics covered include: Molecular Orbital Theory Molecular Orbitals and the Structures of Organic Molecules Chemical Reactions — How Far and How Fast Ionic Reactions — Reactivity Ionic Reactions — Stereochemistry Pericyclic Reactions Radical Reactions Photochemical Reactions This expanded Reference Edition of Molecular Orbitals and Organic Chemical Reactions takes the content and the same non-mathematical approach of the Student Edition, and adds extensive extra subject coverage, detail and over 1500 references. The additional material adds a deeper understanding of the models used, and includes a broader range of applications and case studies. Providing a complete in-depth reference for a more advanced audience, this edition will find a place on the bookshelves of researchers and advanced students of organic, physical organic and computational chemistry. The student edition of Molecular Orbitals and Organic Chemical Reactions presents molecular orbital theory in a simplified form, and offers an invaluable first textbook on this important subject for students of organic, physical organic and computational chemistry. Further information can be viewed here. "These books are the result of years of work, which began as an attempt to write a second edition of my 1976 book Frontier Orbitals and Organic Chemical Reactions. I wanted to give a rather more thorough introduction to molecular orbitals, while maintaining my focus on the organic chemist who did not want a mathematical account, but still wanted to understand organic chemistry at a physical level. I'm delighted to win this prize, and hope a new generation of chemists will benefit from these books." -Professor Ian Fleming

Frontier orbitals and organic chemical reactions

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Author: Ian Fleming

Publisher: John Wiley & Sons

ISBN: N.A

Category: Science

Page: 249

View: 8722

Provides a basic introduction to frontier orbital theory with a review of its applications in organic chemistry. Assuming the reader is familiar with the concept of molecular orbital as a linear combination of atomic orbitals the book is presented in a simple style, without mathematics making it accessible to readers of all levels.

Orbital Interactions in Chemistry

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Author: Thomas A. Albright,Jeremy K. Burdett,Myung-Hwan Whangbo

Publisher: John Wiley & Sons

ISBN: 1118558251

Category: Science

Page: 834

View: 1880

Explains the underlying structure that unites all disciplines in chemistry Now in its second edition, this book explores organic, organometallic, inorganic, solid state, and materials chemistry, demonstrating how common molecular orbital situations arise throughout the whole chemical spectrum. The authors explore the relationships that enable readers to grasp the theory that underlies and connects traditional fields of study within chemistry, thereby providing a conceptual framework with which to think about chemical structure and reactivity problems. Orbital Interactions in Chemistry begins by developing models and reviewing molecular orbital theory. Next, the book explores orbitals in the organic-main group as well as in solids. Lastly, the book examines orbital interaction patterns that occur in inorganic–organometallic fields as well as cluster chemistry, surface chemistry, and magnetism in solids. This Second Edition has been thoroughly revised and updated with new discoveries and computational tools since the publication of the first edition more than twenty-five years ago. Among the new content, readers will find: Two new chapters dedicated to surface science and magnetic properties Additional examples of quantum calculations, focusing on inorganic and organometallic chemistry Expanded treatment of group theory New results from photoelectron spectroscopy Each section ends with a set of problems, enabling readers to test their grasp of new concepts as they progress through the text. Solutions are available on the book's ftp site. Orbital Interactions in Chemistry is written for both researchers and students in organic, inorganic, solid state, materials, and computational chemistry. All readers will discover the underlying structure that unites all disciplines in chemistry.

Pericyclic Reactions

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Author: Ian Fleming

Publisher: Oxford University Press, USA

ISBN: 0199680906

Category: Addition reactions

Page: 118

View: 9060

Key texts in the renowned Oxford Chemistry Primers series have been fully refreshed and updated to suit the needs of today's students, lecturers, and postgraduate researchers. The rigorous and yet accessible treatment of each subject area is ideal for those wanting to know more about a particular topic not covered comprehensively in existing undergraduate texts. Moreover, cutting-edge examples and applications throughout the texts show the relevance of thechemistry being described to the real world. Pericyclic reactions constitute a fundamental class of organic chemistry, including such commercially important synthetic reactions as theDiels-Alder reaction. This primer gives a concise and accessible account of these reactions, enabling students to recognise the different types of pericyclic reaction and understand their application in organic synthesis.

Writing Reaction Mechanisms in Organic Chemistry

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Author: Audrey Miller,Philippa H. Solomon

Publisher: Academic Press

ISBN: 9780124967120

Category: Science

Page: 471

View: 8129

Writing Reaction Mechanisms in Organic Chemistry, Second Edition, is an invaluable guide to charting the movements of atoms and electrons in the reactions of organic molecules. Miller and Solomon illustrate that understanding organic reactions is based on applying general principles rather than the rote memorization of unrelated processes, and, in turn, emphasize that writing mechanisms is a practical method of applying knowledge of previously encountered reactions and reaction conditions to new reactions. Students and research chemists alike will find this book useful in providing a method of organizing and synthesizing an oftentimes overwhelming quantity of information into a set of general principles and guidelines for determining and describing organic reaction mechanisms. * Essential for those students who need to have mechanisms explained in greater detail than most organic chemistry textbooks provide. * Illustrated with hundreds of chemical structures * Extensively rewritten and reorganized to make the presentation and format even easier for students to use * Contains many problem sets and answers to all problems to help students work through general principles and applications * Appendixes have been added to this edition that contain easily referenced information on Lewis structures, symbols for chemical notation, and the relative acidities of common substances

Practical Synthetic Organic Chemistry

Reactions, Principles, and Techniques

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Author: Stéphane Caron

Publisher: John Wiley & Sons

ISBN: 1118093569

Category: Science

Page: 898

View: 7112

A hands-on guide to assist in the planning and execution of synthetic reactions in the laboratory Despite the maturity of organic chemistry, it can still be very challenging to identify optimal methods for synthetic transformations that perform as well in real-world manufacturing processes as they do in the laboratory. This detailed and accessible guide attempts to address this vexing issue and deliver proven methodologies practicing synthetic chemists will find valuable for identifying reaction conditions that work reliably over the broadest possible range of substrates. Practical Synthetic Organic Chemistry: Provides a practical guide to strategically planning and executing chemical syntheses for the bench chemist in industry Discusses information that is not common knowledge beyond the boundaries of process chemistry groups, such as the synthetic routes of selected contemporary pharmaceutical drugs and practical solvents, as well as green chemistry concepts Highlights key reactions, including substitutions, additions, eliminations, rearrangements, oxidations, and reductions Addresses basic principles, mechanisms, advantages and disadvantages of the methodology, and techniques for achieving laboratory success Incorporating such an extraordinary wealth of information on organic chemistry and its related fields into one complete volume distinguishes Practical Synthetic Organic Chemistry as an incomparable desktop reference for professionals—and an invaluable study aid for students.

Applications of MO Theory in Organic Chemistry

Progress in Theoretical Organic Chemistry

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Author: I.G. Csizmadia

Publisher: Elsevier

ISBN: 148316392X

Category: Science

Page: 640

View: 1873

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.

The Organic Chemist's Book of Orbitals

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Author: William Jorgensen

Publisher: Elsevier

ISBN: 0323155960

Category: Science

Page: 320

View: 8074

The Organic Chemist's Book of Orbitals focuses on the mechanisms, stereochemistry, and reactivity of molecular orbitals. Composed of four chapters, the book outlines how molecular orbitals are created by delocalization. Concerns include CC and CH single-bond orbitals; bond orbitals and group orbitals; and the localized orbitals of CH2 and CH3 groups. Schematic diagrams are presented to show the nature, reactions, and compositions of molecular orbitals. The text offers a list of molecules and orbital occupancies. Orbital drawings are presented to show the differences of the molecular orbitals of hydrogen, water, ammonia, methane, nitrogen, carbon monoxide, and acetylene. The book also provides an index of references for the molecular geometries and orbital energies employed in the orbital drawings. Considering the weight of data presented, the book is a great find for readers interested in studying molecular orbitals.

Frontier Orbitals and Reaction Paths

Selected Papers of Kenichi Fukui

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Author: Kenichi Fukui

Publisher: World Scientific

ISBN: 9812795847

Category: Science

Page: 543

View: 5193

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.

Orbital Interaction Theory of Organic Chemistry

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Author: Arvi Rauk

Publisher: John Wiley & Sons

ISBN: 9780471461845

Category: Science

Page: 360

View: 8201

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.

Pericyclic Chemistry

Orbital Mechanisms and Stereochemistry

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Author: Dipak Kumar Mandal

Publisher: Elsevier

ISBN: 0128149590

Category: Science

Page: 532

View: 7364

Pericyclic Chemistry: Orbital Mechanisms and Stereochemistry is a complete guide to the topic that is ideal for graduate students, advanced undergraduate students and researchers in organic chemistry. An introduction to molecular orbital theory and relevant stereochemical concepts is provided as background, with all four classes of pericyclic reactions discussed and illustrated with orbital picture representations. Also included are chapters on cycloadditions, the most versatile class, and electrocyclic reactions, sigmatropic rearrangements and group transfer reactions. A separate chapter on the construction of correlation diagrams is also included, emphasizing a practical, hands on approach. Author Dipak Kumar Mandal brings over 30 years of teaching experience to the topic and illuminates pericyclic chemistry with a clear and fresh perspective. Comprehensive guide featuring unifying mechanistic approaches, stereochemical details and novel rules and mnemonics to delineate product stereochemistry Includes two background chapters on molecular orbitals and stereochemical concepts Emphasizes a theoretical understanding using perturbation theory (Salem-Klopman equation) and physical insights from orbital and state correlation analyses

An Introduction to Molecular Orbitals

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Author: Yves Jean,François Volatron,Jeremy K. Burdett

Publisher: Taylor & Francis US

ISBN: 9780195069181

Category: Science

Page: 337

View: 3806

This text for advanced undergraduate and graduate students guides the reader through a smooth progression from the most elementary ideas of molecular orbital theory to an understanding of the electronic structure, geometry, and reactivity of large molecules. It starts with simple molecules and proceeds to relatively large organometallic complexes. The slant is theoretical, but in the last chapter the authors strengthen the link between theory and experiment. Focusing on basic concepts, the authors take a qualitative approach, which enables this text to fill a void in the undergraduate curriculum. The book is intended as a core or supplementary text in an advanced chemistry course.

The PMO Theory of Organic Chemistry

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Author: Michael Dewar

Publisher: Springer Science & Business Media

ISBN: 1461344042

Category: Science

Page: 576

View: 3548

This textbook introduces the perturbation molecular orbital (PMO) th,eory of organic chemistry. Organic chemistry encompasses the largest body of factual information of any of the major divisions of science. The sheer bulk of the subject matter makes many demands on any theory that attempts to systematize it. Time has shown that the PMO method meets these demands admirably. The PMO method can provide practicing chemists with both a pictorial description of bonding and qualitative theoretical results that are well founded in more sophisticated treatments. The only requirements for use of the theory are high school algebra and a pencil and paper. The treatment described in this book is by no means new. Indeed, it was developed as a complete theory of organic chemistry more than twenty years ago. Although it was demonstrably superior to resonance theory and no more complicated to use, it escaped notice for two very simple reasons. First, the original papers describing it were very condensed, perhaps even obscure, and contained few if any examples. Second, for various reasons, no general account appeared in book form until 1969,* and this was still relatively inaccessible, being in the form of a monograph where molecular orbital (MO) theory was treated mainly at a much more sophisticated level. The generality of the PMO method is illustrated by the fact that all the new developments over the last two decades can be accommodated in it.

Introductory Organic Chemistry

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Author: J.T. Gerig

Publisher: Elsevier

ISBN: 0323140912

Category: Science

Page: 422

View: 617

Introductory Organic Chemistry provides a descriptive overview of organic chemistry and how modern organic chemistry is practiced. Organic compounds such as alkanes, cycloalkanes, alkenes, cycloalkenes, and alkynes are covered, along with aromatic hydrocarbons, compounds derived from water and hydrogen sulfide, and compounds derived from ammonia. This book also explores organic reaction mechanisms and describes the use of molecular spectroscopy in studying the chemical structure of organic complexes. This text consists of 15 chapters and begins with a discussion on some fundamental ideas about organic chemistry, from the electronic structure of atoms to molecular structure, molecular orbitals, hybridization of atomic orbitals in carbon, chemical equilibrium, enthalpy, and acids and bases. The chapters that follow focus on the compounds of carbon such as alkanes and cycloalkanes; benzene and other aromatic hydrocarbons; amines and other heterocyclic molecules; aldehydes and ketones; carboxylic acids and their derivatives; nucleic acids; amino acids; peptides; and proteins. The use of instrumentation methods in organic chemistry, particularly mass spectrometry and nuclear magnetic resonance spectroscopy, is also considered. An account of the mechanisms of an organic reaction is presented, paying particular attention to displacement and elimination reactions. This book concludes with a commentary on how most of the amino acids, sugars, heterocyclic molecules, and fatty acids necessary for life processes could have been formed on Earth. This book is intended for nonmajors taking an introductory organic chemistry course of two quarters or one semester in length.

Organic Reactions and Orbital Symmetry

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Author: T. L. Gilchrist,R. C. Storr

Publisher: CUP Archive

ISBN: 9780521293365

Category: Science

Page: 311

View: 8397

First published in 1979 as the second edition of a 1972 original, this textbook provides a systematic account of cycloadditions and molecular rearrangements.