Molecular Orbitals and Organic Chemical Reactions 1st Edition by Ian Fleming ISBN 0470746599 9780470746592

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ISBN 10: 0470746599 
ISBN 13: 0470746599 
Author: Ian Fleming

Winner of the PROSE Award for Chemistry & Physics 2010

Acknowledging the very best in professional and scholarly publishing, the annual PROSE Awards recognise publishers’ and authors’ commitment to pioneering works of research and for contributing to the conception, production, and design of landmark works in their fields. Judged by peer publishers, librarians, and medical professionals, Wiley are pleased to congratulate Professor Ian Fleming, winner of the PROSE Award in Chemistry and Physics for Molecular Orbitals and Organic Chemical Reactions.

Molecular orbital theory is used by chemists to describe the arrangement of electrons in chemical structures. It is also a theory capable of giving some insight into the forces involved in the making and breaking of chemical bonds―the chemical reactions that are often the focus of an organic chemist’s interest. Organic chemists with a serious interest in understanding and explaining their work usually express their ideas in molecular orbital terms, so much so that it is now an essential component of every organic chemist’s skills to have some acquaintance with molecular orbital theory.

Molecular Orbitals and Organic Chemical Reactions is both a simplified account of molecular orbital theory and a review of its applications in organic chemistry; it provides a basic introduction to the subject and a wealth of illustrative examples. In this book molecular orbital theory is presented in a much simplified, and entirely non-mathematical language, accessible to every organic chemist, whether student or research worker, whether mathematically competent or not. Topics covered include:

• Molecular Orbital Theory
• Molecular Orbitals and the Structures of Organic Molecules
• Chemical Reactions ― How Far and How Fast
• Ionic Reactions ― Reactivity
• Ionic Reactions ― Stereochemistry
• Pericyclic Reactions
• Radical Reactions
• Photochemical Reactions

Slides for lectures and presentations are available on the supplementary website: www.wiley.com/go/fleming_student

Molecular Orbitals and Organic Chemical Reactions: Student Edition is an invaluable first textbook on this important subject for students of organic, physical organic and computational chemistry.

The Reference Edition edition takes the content and the same non-mathematical approach of the Student Edition, and adds extensive extra subject coverage, detail and over 1500 references. The additional material adds a deeper understanding of the models used, and includes a broader range of applications and case studies. Providing a complete in-depth reference for a more advanced audience, this edition will find a place on the bookshelves of researchers and advanced students of organic, physical organic and computational chemistry. Further information can be viewed here.

“These books are the result of years of work, which began as an attempt to write a second edition of my 1976 book Frontier Orbitals and Organic Chemical Reactions. I wanted to give a rather more thorough introduction to molecular orbitals, while maintaining my focus on the organic chemist who did not want a mathematical account, but still wanted to understand organic chemistry at a physical level. I’m delighted to win this prize, and hope a new generation of chemists will benefit from these books.”

Molecular Orbitals and Organic Chemical Reactions 1st Edition Table of contents:

Part I: Fundamentals of Molecular Orbitals

1. Introduction to Molecular Orbitals
   Overview of molecular orbitals (MOs), their origins from atomic orbitals, and the principles behind their construction.

2. Bonding and Antibonding Orbitals
   The concepts of bonding and antibonding orbitals, and how these influence the stability and reactivity of molecules.

3. Molecular Orbital Theory: The Basics
   Introduction to the fundamental principles of molecular orbital theory, including the linear combination of atomic orbitals (LCAO) method, energy levels, and electron configuration.

4. Symmetry in Molecular Orbitals
   The importance of symmetry in determining the allowed interactions between molecular orbitals, including symmetry-adapted linear combinations.

5. HOMO and LUMO: The Frontier Orbitals
   Understanding the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO), and their role in determining chemical reactivity.

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Part II: Application of Molecular Orbitals to Organic Reactions

6. The Role of Molecular Orbitals in Organic Reactions
   How molecular orbitals govern the mechanisms of organic reactions, including orbital overlap and the formation of new bonds during reactions.

7. Orbital Interactions in Electrophilic Substitution Reactions
   Examining how molecular orbitals are involved in electrophilic aromatic substitution, including the interactions of the π system with electrophiles.

8. Nucleophilic Substitution and Molecular Orbitals
   A look at how molecular orbitals contribute to the mechanism of nucleophilic substitution, with an emphasis on SN1 and SN2 reactions.

9. Pericyclic Reactions and Orbital Symmetry
   The role of molecular orbitals in pericyclic reactions, including cycloadditions, electrocyclic reactions, and sigmatropic rearrangements, with a focus on the Woodward-Hoffmann rules.

10. Addition Reactions: Orbital Interactions
    How molecular orbitals influence the reactivity of alkenes, alkynes, and dienes in addition reactions, including mechanisms like the Diels-Alder reaction.

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Part III: Advanced Topics in Molecular Orbitals and Organic Chemistry

11. Charge Transfer and Radical Reactions
    Exploration of how molecular orbitals impact charge transfer processes and the formation of reactive intermediates like radicals in organic reactions.

12. Transition States and Activation Energies
    A study of the role of molecular orbitals in the formation of transition states and how they influence the activation energies of chemical reactions.

13. The Concept of Molecular Orbitals in Catalysis
    How molecular orbitals contribute to catalysis, including the role of metal catalysts and organocatalysts in facilitating reactions by lowering activation energies.

14. Nonbonding Orbitals and Their Influence on Reactivity
    Examining the role of nonbonding orbitals, such as lone pairs, in determining the reactivity of molecules, particularly in nucleophilic attack and coordination chemistry.

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Part IV: Case Studies of Organic Reactions Using Molecular Orbitals

15. The Aldol Reaction: A Molecular Orbital Perspective
    A detailed analysis of the aldol reaction mechanism using molecular orbital theory, focusing on the key orbital interactions that govern this reaction.

16. Electrophilic Aromatic Substitution: A Case Study
    A case study of the electrophilic aromatic substitution mechanism, highlighting the role of π orbitals in determining the reactivity and orientation of substitution.

17. The Diels-Alder Reaction: Orbital Overlap and Reaction Pathways
    A deep dive into the Diels-Alder reaction, using molecular orbitals to understand the symmetry and orbital interactions that make this reaction highly efficient.

18. Pericyclic Reactions and the Woodward-Hoffmann Rules
    In-depth discussion of pericyclic reactions, using molecular orbital theory and the Woodward-Hoffmann rules to predict reaction outcomes.

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Part V: Modern Advances and Future Directions

19. Molecular Orbitals in Organocatalysis and Green Chemistry
    Exploring how molecular orbitals are used in modern organic synthesis, especially in the development of organocatalysts and green chemistry techniques.

20. Computational Chemistry and Molecular Orbital Theory
    An introduction to the use of computational methods, such as density functional theory (DFT), to model and predict the molecular orbitals involved in organic reactions.

21. The Future of Molecular Orbitals in Organic Synthesis
    A look forward to new research areas where molecular orbital theory may contribute to the development of novel organic reactions and synthetic methodologies.

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