Theory of Organic Reactions
| Main Author: | |
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| Format: | eBook |
| Language: | English |
| Published: |
Berlin, Heidelberg
Springer Berlin Heidelberg
1978, 1978
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| Edition: | 1st ed. 1978 |
| Series: | Reactivity and Structure: Concepts in Organic Chemistry
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| Subjects: | |
| Online Access: | |
| Collection: | Springer Book Archives -2004 - Collection details see MPG.ReNa |
Table of Contents:
- 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
- 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 IntermolecularReactions
- 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
- 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
- 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
- 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-PolarityRelationship
- 4.9 Reaction Intermediates and Types of Organic Mechanisms
- 4.10 2?+2? Nonionic Photocycloadditions Involving n?* Excitation