The Organic Chemist's Book of Orbitals

The Organic Chemist's Book of Orbitals

1st Edition - May 28, 1973

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  • Author: William Jorgensen
  • eBook ISBN: 9780323155960

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Description

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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