An Introduction to Molecular Orbitals [Hardcover]

This text for advanced undergraduate and graduate students guides the reader through a smooth progression from the most elementary ideas of molecular orbital theory to an understanding of the electronic structure, geometry, and reactivity of large molecules. It starts with simple molecules and proceeds to relatively large organometallic complexes. The slant is theoretical, but in the last chapter the authors strengthen the link between theory and experiment. Focusing on basic concepts, the authors take a qualitative approach, which enables this text to fill a void in the undergraduate curriculum. The book is intended as a core or supplementary text in an advanced chemistry course.

PART I: Introduction to Atomic and Molecular Structure
1. From the Periodic Table to Molecules
2. Properties of Atoms
PART II: Building Up Molecular Orbitals and Electronic Structure
3. Interaction of Two Atomic Orbitals on Different Centers
4. The Fragment Orbital Method; Application to Some Model Systems
5. Interactions between Two Fragment Orbitals: Linear AH2, Trigonal AH3 and Tetrahedral AH4
6. Interactions between Three Fragment Orbitals. The Molecules AH, Bent AH2 and Pyramidal AH3
7. Interactions between Four Fragment Orbitals: The Diatomic Molecules A2 and AB
8. Large Molecules
PART III: Introduction to the Study of the Geometry and Reactivity of Molecules
9. Orbital Correlation Diagrams: The Model Systems H3+ and H3-
10. Geometry of AH2 and AH3 Molecules
11. Molecular Geometry Using Fragment Molecular Orbitals
12. An Introduction to the Study of Chemical Reactivity
PART IV: Problems