Orbital Interaction Theory of Organic Chemistry

By Arvi Rauk

All reactions of organic compounds are treated within the framework of generalized Lewis acid-Lewis base theory, their reactivity governed by characteristics of the frontier orbitals. Coverage includes symmetry and stereochemical relationships; orbitals and Hartree-Fock theory; applications of orbital interaction diagrams to O-bond descriptions and reactions; H?ckel MO theory; pericyclic reactions; orbital correlation diagrams and photochemistry. Features numerous illustrations from recent literature. Includes a 3.5 inch disk which contains the basic interactive program for simple H?ckel MO theory.

• Format: Hardcover
• Language: English
• ISBN: 0471593893
• ISBN13: 9780471593898
• Release Date: March 1994
• Publisher: Wiley-Interscience
• Length: 336 Pages
• Weight: 1.45 lbs.
• Dimensions: 9.6" x 0.9" x 6.4"

Customer Reviews

Orbitals forever

Molecular orbitals are mathematical constructs rigorously derived from the application of quantum mechanical laws. Their pictorial depiction in term of spheres and lobes, however, has had a tremendous impact on chemistry, especially in the qualitiative interpretation of chemical phenomena. This book represents a testimonial of this fact, showing you applications ranging from pericyclic reactions to organometallics and photochemistry. Chapter 10 is of particular interest for those working on biomolecules since it shows how this powerful theoretical tool can be applied to rationalize the hydrogen bond interaction (of course the examples refer to simple systems and is up to your ability trying to exploit those concepts to disentangle the nature of a given protein-ligand interaction!). Exercises for each chapter have been clustered in Appendix B, at the end of the book, while Appendix A contains a short derivation of the Hartree-Fock (HF) theory, post-HF methods and density functional theory. The latter appendix, however, could have been either entirely omitted from the book or integrated within chapters 1-15. All in all, this book is worth to be in your bookshelf and, if possibe, complement it with the classical work "Orbital Interactions in Chemistry" (a masterpiece written in 1985) by Albright, Burdett and Whangbo.