The Conservation of Orbital Symmetry
The Conservation of Orbital Symmetry

Author: R. B. Woodward

Publisher: Elsevier

Published: 2013-10-22

Total Pages: 185

ISBN-13: 148328204X

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The Conservation of Orbital Symmetry examines the principle of conservation of orbital symmetry and its use. The central content of the principle was that reactions occur readily when there is congruence between orbital symmetry characteristics of reactants and products, and only with difficulty when that congruence does not obtain—or to put it more succinctly, orbital symmetry is conserved in concerted reaction. This principle is expected to endure, whatever the language in which it may be couched, or whatever greater precision may be developed in its application and extension. The book opens with a review of the elementary aspects of the molecular orbital theory of bonding. This is followed by separate chapters on correlation diagrams, the conservation of orbital symmetry, theory of electrocyclic reactions, theory of cycloadditions and cycloreversions, and theory of sigmatropic reactions. Subsequent chapters deal with group transfers and eliminations; secondary conformational effects in concerted cycloaddition reactions; and generalized selection rules for pericyclic reactions.

Steric and Stereoelectronic Effects in Organic Chemistry
Steric and Stereoelectronic Effects in Organic Chemistry

Author: Veejendra K. Yadav

Publisher: Springer Nature

Published: 2021-07-01

Total Pages: 262

ISBN-13: 303075622X

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In this second edition, the author has thoroughly updated each chapter and expanded the content with addition of three new chapters. This book comments on several key aspects of stereochemical control of organic reactions in measured detail to allow the reader easily grasp these concepts. In addition, emphasis is given to key information and important aspects of steric and stereoelectronic effects and their control on conformational profile and reactivity features. This book is not only an indispensable resource for advanced undergraduate and graduate students studying the stereochemical aspects of organic reactions, but also a good reference book for all organic chemists in both industry and academia.

Hückel Molecular Orbital Theory
Hückel Molecular Orbital Theory

Author: Keith Yates

Publisher: Elsevier

Published: 2012-12-02

Total Pages: 384

ISBN-13: 0323152996

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Huckel Molecular Orbital Theory aims to be a simple, descriptive, and non-mathematical introduction to the Huckel molecular orbital theory and its applications in organic chemistry, thus the more basic text found in the book. The book, after an introduction to related concepts such as quantum mechanics and chemical bonding, discusses the Huckel molecular orbital theory and its basic assumptions; the variation principle and the basic Huckel method; and the use of symmetry properties in simplifying Huckel method orbital calculations. The book also covers other related topics such as the extensions and improvements of the simple Huckel method; the quantitative significance Huckel molecular orbital results; and the principle of conservation of orbital symmetry. The text is recommended for undergraduate students of organic chemistry who wish to be acquainted with the basics of the Huckel molecular orbital theory.

The Conservation of Orbital Symmetry
The Conservation of Orbital Symmetry

Author: R. B. Woodward

Publisher:

Published: 2013

Total Pages:

ISBN-13: 9781483232904

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The Conservation of Orbital Symmetry examines the principle of conservation of orbital symmetry and its use. The central content of the principle was that reactions occur readily when there is congruence between orbital symmetry characteristics of reactants and products, and only with difficulty when that congruence does not obtain-or to put it more succinctly, orbital symmetry is conserved in concerted reaction. This principle is expected to endure, whatever the language in which it may be couched, or whatever greater precision may be developed in its application and extension. The book ope ...

Orbital Interaction Theory of Organic Chemistry
Orbital Interaction Theory of Organic Chemistry

Author: Arvi Rauk

Publisher: John Wiley & Sons

Published: 2004-04-07

Total Pages: 360

ISBN-13: 0471461849

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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.

Solids and Surfaces
Solids and Surfaces

Author: Roald Hoffmann

Publisher: John Wiley & Sons

Published: 2021-01-29

Total Pages: 155

ISBN-13: 1119809924

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Dieses einzigartige Buch läßt Chemie und Physik im festen Zustand und auf Oberflächen 'zusammentreffen'. In einer lebhaften und anschaulichen Weise bringt es Chemikern die Sprache bei, mit der sie die Elektronenstruktur ausgedehnter Systeme verstehen lernen können. Gleichzeitig zeigt es, wie auch von Seiten der Chemie Modelle über den festen Zustand sowie über Bindungen und Reaktivität von Oberflächen erstellt werden können. Das Buch bedient sich zunächst der Sprache von Kristallorbitalen, Bandstrukturen und Zustandsdichten. Danach stellt es die Werkzeuge bereit, mit denen der Leser weg von den stark delokalisierten Orbitalen des Festkörpers gelangt, darunter der Zerfall von Zustandsdichten und die Population von Kristallorbital-Overlaps. Mit diesen Werkzeugen schafft es der Autor, detaillierte quantenmechanische Berechnungen mit der chemischen Betrachtungsweise mit Grenzorbitalen zu verknüpfen. Die beschriebenen Anwendungen umfassen eine allgemeine Vorstellung der Chemisorption, Bindungsbildung und -zerfall im festen Zustand, Bindungen im Metall, die Elektronenstruktur ausgewählter leitender und supraleitender Verbindungen sowie die für die Deformation ausgedehnter Systeme verantwortlichen Kräfte.

Pericyclic Reactions
Pericyclic Reactions

Author: G. Gill

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 278

ISBN-13: 9400957181

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??1???1??orbita1 theory has had some notable successes in the ana1ysis of individua1 organic reactions and in corre1ations between reaction series. Gen???ll? the theory has???? invoked to exp1ain known chemica1 phenomena, and rather infrequent1y [?? broad1y-based predictions. In 1965 Woodward and??????? published? series of papers?? the??1???1??orbita1 inter pretation of various types of concerted cyc10-addition reactions, which hitherto had???? rather????1? understood. Because these processes (now known as pericyclic reactions) had great synthetic importance, and because the Woodward-Hoffmann theory was stated so explicit1y as to allow [?? usefu1 and far-reaching predictions to?? made, the genera1 acceptance of the so-called Woodward-Hoffmann Ru1es was very rapid. Judging from the vast number of publications that have appeared,? great dea1 of experimentaleffort has???? channelled into this genera1 area since that time, the results of which provide? vindication of the ru1es. The theoretica1 basis of Woodward and Hoffmann's method has, however,???? the subject of criticism and controversy, and??????? of alternative theoretica1 methods have a1so appeared.???? university departments (inc1uding?ur own) have for some time covered pericyclic reactions in their undergraduate and graduate courses. Because aims, teaching methods, and persona1 preferences differ wide1y, each of the various theoretica1 methods have achieved some currency. We have sought to?1??? these methods in some sort of perspective. The book is intended to?? introductory, being aimed primarily at fina1 year undergraduates and first year postgraduates.

Symmetry and Spectroscopy
Symmetry and Spectroscopy

Author: Daniel C. Harris

Publisher: Courier Corporation

Published: 1989-01-01

Total Pages: 588

ISBN-13: 9780486661445

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Informal, effective undergraduate-level text introduces vibrational and electronic spectroscopy, presenting applications of group theory to the interpretation of UV, visible, and infrared spectra without assuming a high level of background knowledge. 200 problems with solutions. Numerous illustrations. "A uniform and consistent treatment of the subject matter." — Journal of Chemical Education.

Orbital Symmetry and Reaction Mechanism
Orbital Symmetry and Reaction Mechanism

Author: E.Amitai Halevi

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 322

ISBN-13: 3642835686

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Criteria of orbital symmetry conservation had a profound influence on mechanistic thinking in organic chemistry and are still commonly applied today. The author presents a coherent set of operational rules for the analysis of scope and reliability. It is written from the viewpoint of Orbital Correspondence Analysis in Maximum Symmetry (OCAMS). Its advantage lies in its provision of a coherent overview of the relation between symmetry and mechanism. For reasons of consistency, the book remains within the framework of molecular orbital theory.