The organic chemist's book of orbitals
著者
書誌事項
The organic chemist's book of orbitals
Academic Press, 1973
- : [hbk]
- : pbk.
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注記
A revised German ed. published in 1974 under title: Orbitale organischer Moleküle
Includes bibliographical references
内容説明・目次
内容説明
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.
目次
PrefaceI. How Molecular Orbitals are Built by Delocalization: A Unified Approach Based on Bond Orbitals and Group Orbitals 1. Bond Orbitals and Group Orbitals 2. CC Single-Bond Orbitals 3. CC Double-Bond Orbitals 4. CH Single-Bond Orbitals 5. The Localized Orbitals of a CH2 Group 6. The Localized Orbitals of a CH3 Group 7. How Localized Orbitals Interact to Create Delocalized Combinations. General Rules for the Interaction between Orbitals of Different Energy 8. Ethylene 9. Analogy between the s Delocalized Orbitals of a Hydrocarbon Skeleton and the p Delocalized Orbitals of Conjugated Chains 10. The "p" Orbitals of Ethane 11. Cyclopropane 12. An Alternative Description: Walsh Orbitals 13. The s Orbitals of Benzene 14. Does Distance Affect the Interaction between Localized Orbitals? Cyclobutane 15. Through-Bond Interactions: Para-Benzyne and Pyrazine 16. Are the Interactions between Localized Group Orbitals Useful in Predicting the Chemical Properties of Molecules? The Ethyl Cation and n-Propyl Cation 17. The Vinyl Cation 18. The Cyclopropylcarbinyl Cation 19. Methylenecyclopropane and Cyclopropanone 20. Introduction of Heteroatoms: The Effect of an Electronegativity Perturbation 21. The Reactivity of Cyclopropene and Diazirine 22. Equivalence and Nonequivalence of Lone-Pairs. Water and Methyl Fluoride 23. Conclusion. Application to the Construction of Frontier Orbitals and to Correlation Diagrams 24. Additional ReadingII. Basic Data Concerning the Orbital Drawings in Chapter III 1. Notation 2. Computational DetailsIII. Three-Dimensional Molecular Orbitals Listing of Molecules and Orbital Occupancies Orbital DrawingsIV. Index of References Geometries and Orbital EnergiesSubject Index
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