Molecular Orbital Theory by Carl Ballhausen, Harry Gray, Based on lectures on molecular orbital theory that the authors have conferred at the University of Kobenhavn and Columbia. They were designed primarily for advanced-undergraduate associate degreed first graduate students as an introduction to molecular orbital theory. The transition metal complexes occupy a special place here, and also the last chapter is devoted entirely to the current subject. Download the pdf from below.


1 Atomic Orbitals

1-1 The Schrodinger Equation
1-2 "Hydrogen-Like" Orbitals
1-3 The Pauli Exclusion Principle

2 Diatomic Molecules
2-1 Molecular Orbitals for Diatomic Molecules
2-2 Symmetry Considerations
2-3 Diatomic Molecules with Different Atomic Nuclei

3 Electronic States of Molecules

4 Hybridization

5 Band Intensities

6 Triatomic Molecules
6-1 The C02 Molecule
6-2 The H20 Molecule
6-3 NO2
6-4 03 and SO2

7 Selected Molecules with Four or More Atoms
7-1 Hz02
7-2 Formaldehyde, H2C0
7-3 The Boron Hydride BzHG

8 Molecular Orbitals Involving d Valence Orbitals
8- 1 General Considerations
8-2 Molecular Orbitals for an Octahedral Molecule
8-3 Ligand-Orbital Representations
8-4 Group Overlap of Metal and Ligand Orbitals
8-5 Energy Calculations
8-6 Electronic Spectra of Metal Complexes