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" Theory of Organic Reactions "
by Nicolaos Demetrios Epiotis.
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BL
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752466
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b572425
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| Main Entry
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by Nicolaos Demetrios Epiotis.
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| Title & Author
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Theory of Organic Reactions\ by Nicolaos Demetrios Epiotis.
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| Publication Statement
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Berlin, Heidelberg : Springer Berlin Heidelberg, 1978
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| Series Statement
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Reactivity and structure, 5.
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| ISBN
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3642668275
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: 3642668291
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: 9783642668272
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: 9783642668296
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| Contents
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1. One-Determinental Theory of Chemical Reactivity --; 1.1 General Principles and Computational Schemes --; 1.2 Qualitative One-Determinental Models of Chemical Reactivity --; 1.3 The Static One Electron Molecular Orbital Model --; 1.4 Orbital Energies. The Donor-Acceptor Classification of Molecules and the Concept of Reaction Polarity --; 1.5 One Electron Interaction Matrix Elements and Overlap Integrals --; 1.6 The Woodward-Hoffmann Molecular Orbital Correlation Diagram --; 2. Configuration Interaction Overview of Chemical Reactivity --; 2.1 General Principles --; 2.2 Qualitative Configuration Interaction Models of Chemical Reactivity --; 2.3 The Static Linear Combination of Fragment Configurations Method --; 2.4 The Static Delocalized Configuration Interaction Method --; 2.5 The Dynamic Delocalized Configuration Interaction Method --; 3. The Dynamic Linear Combination of Fragment Configurations Method --; 3.1 Definitions --; 3.2 General Theoretical Considerations --; 3.3 The Interaction of Diabatic Surfaces --; 3.4 Polarity Control of Barrier Heights and Decay Efficiencies --; 3.5 The Effect of Excitation Energy on Photochemical Barrier Height --; 3.6 Diabatic Surface Interrelationships. A Classification of Chemical Reactions --; 4. Even-Even Intermodular Multicentric Reactions --; 4.1 Potential Energy Surfaces for 2?+2? Cycloadditions --; 4.2 The Effect of Polarity. Potential Energy Surfaces for Nonionic and Ionic In 2?+2? Cycloadditions --; 4.3 Pericyclic, Effectively Pericyclic and Quasipericyclic Reactions --; 4.4 The Effect of Unsymmetrical Substitution and the Effect of Conjugative Substitution --; 4.5 The Regiochemistry of 2?+2? Cycloadditions --; 4.6 Isomeric Reactions and the Topochemistry of 2?+2? Cycloreversions --; 4.7 The Topochemistry of Intramolecular Cycloadditions --; 4.8 The Selectivity-Polarity Relationship --; 4.9 Reaction Intermediates and Types of Organic Mechanisms --; 4.10 2?+2? Nonionic Photocycloadditions Involving n?* Excitation --; 4.11 The Effect of Low Lying Diexcited Diabatic Surfaces in Photoreactions --; 4.12 The Problem of Energy Wastage. The Concept of Dual Channel Photoreactions --; 4.13 Generalizations --; 5. The Problem of Correlation Imposed Barriers --; 6. Reactivity Trends of Thermal Cycloadditions --; 6.1 Introduction --; 6.2 Mechanisms of Stereochemical Nonretention in Cycloadditions --; 6.3 Reactivity Trends of Thermal Nonionic 2?+2? Cycloadditions --; 6.4 Reactivity Trends of Thermal Ionic 2?+2? Cycloadditions --; 6.5 The 2?+2? Ionic Cycloaddition Problem --; 6.6 Reactivity Trends of Thermal Nonionic 4?+2? Cycloadditions --; 6.7 Reactivity Trends of Thermal Ionic 4?+2? Cycloadditions --; 7. Reactivity Trends of Singlet Photochemical Cycloadditions --; 7.1 Introduction --; 7.2 The Chorochemistry of Singlet 2?+2? Photocycloadditions --; 7.3 "Unusual" Head to Head vs. Head to Tail Regioselectivity of Photocycloadditions --; 7.4 n?* State Dual Channel Mechanisms of Polar Nonionic Carbonyl Photocycloadditions --; 7.5??* State Dual Channel Mechanisms of Polar Nonionic Photocycloadditions --; 8. Miscellaneous Intermolecular Multicentric Reactions --; 8.1 Cycloadditions of Cumulene Systems --; 8.2 The Ene Reaction --; 8.3 1,3 Dipolar Cycloadditions --; 9.?? A ddition Reactions --; 9.1 Introduction --; 9.2 Potential Energy Surfaces for 2?+2? Additions --; 9.3 Reactivity Trends of 2?+2? Additions --; 10. Even-Odd Multicentric Intermolecular Reactions --; 10.1 Potential Energy Surfaces for 2?+1? Cycloadditions --; 10.2 Reactivity Trends of Cationic Even-Odd Retro-Cycloadditions and Eliminations --; 11. Potential Energy Surfaces for Odd-Odd Multicentric Intermolecular Reactions --; 12. Even-Even Intermolecular Bicentric Reactions --; 12.1 Potential Energy Surfaces for Electrophilic and Nucleophilic Additions --; 12.2 Reactivity Trends of Electrophilic and Nucleophilic Substitutions --; 13. Even-Odd Intermolecular Bicentric Reactions --; 13.1 Potential Energy Surfaces for Radical Additions --; 13.2 Reactivity Trends of Radical Substitution Reactions --; 14. Odd-Odd Intermolecular Bicentric Reactions. Potential Energy Surfaces for Geometric Isomerization and Radical Combination --; 15. Odd-Odd Intramolecular Multicentric Reactions --; 15.1 Potential Energy Surfaces for Sigmatropic Shifts --; 15.2 Reactivity Trends of Sigmatropic Shifts --; 16. Even-Even Intramolecular Multicentric Reactions --; 16.1 Potential Energy Surfaces for Ionic Rearrangements --; 16.2 Reactivity Trends of Ionic Rearrangements --; 17. Mechanisms of Electrocyclic Reactions --; 17.1 Introduction --; 17.2 Reactivity Trends of Electrocyclic Reactions --; 18. Triplet Reactivity --; 18.1 Introduction --; 18.2 Excited State Spin Multiplicity and Photochemical Barrier Heights --; 18.3 The Mechanism of Spin Inversion in Triplet Nonionic Photoaromatic Reactions --; 18.4 The Mechanism of Spin Inversion in Triplet Nonionic Photoantiaromatic Reactions --; 18.5 Spin-Orbit Coupling Borrowing --; 18.6 Mechanisms of Triplet Photoreactions --; 18.7 A Model of Triplet Reactivity --; 18.8 Spin-Orbit Coupling and the Chorochemistry of Triplet Photocycloadditions --; 18.9 Spin-Orbit Coupling and the Regiochemistry of Triplet Photoaromatic Substitutions --; 19. Photophysical Processes --; 20. The Importance of Low Lying Nonvalence Orbitals --; 21. Divertissements --; 21.1 Thermal Antiaromatic Pericyclic Reactions --; 21.2 Induced Thermal Pericyclic Reactions --; 21.3 Half-Aromatic Reaction Paths --; 21.4 Ambident Reactivity --; 21.5 The Stereoselectivity of Photocycloadditions: In Search of Antiaromatic Intermediates --; 22. A Contrast of "Accepted" Concepts of Organic Reactivity and the Present Work --; Epilogue --; References --; Author Index.
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| Subject
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Chemistry.
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| LC Classification
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QD501.B965 1978
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| Added Entry
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Nicolaos Demetrios Epiotis
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