
The Organic Chemist's Book of Orbitals
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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.
Table of Contents
Preface
I. 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 σ Delocalized Orbitals of a Hydrocarbon Skeleton and the π Delocalized Orbitals of Conjugated Chains
10. The "π" Orbitals of Ethane
11. Cyclopropane
12. An Alternative Description: Walsh Orbitals
13. The σ 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 Reading
II. Basic Data Concerning the Orbital Drawings in Chapter III
1. Notation
2. Computational Details
III. Three-Dimensional Molecular Orbitals
Listing of Molecules and Orbital Occupancies
Orbital Drawings
IV. Index of References
Geometries and Orbital Energies
Subject Index
Product details
- No. of pages: 320
- Language: English
- Copyright: © Academic Press 1973
- Published: May 28, 1973
- Imprint: Academic Press
- eBook ISBN: 9780323155960
About the Author
William Jorgensen
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