Introduction to Molecular Orbital Theory

PMO Theory of Organic Chemistry Plenum NY, 1975 Zimmerman, H.E. Quantum Mechanics for Organic Chemists Academic Press NY, 1975 Borden, W.T. Modem Molecular Orbital Theory for Organic Chemists Prentice-Hall Englewood Cliffs, NJ, 1975 Dewar, M.J.S. The Molecular Orbital Theory of Organic Chemistry McGraw-Hill NY, 1969 Liberies, A. Introduction to Molecular Orbital Theory Holt, Rinehart, and Winston NY, 1966. 

Imperial College. Introduction to Molecular Orbital Theory. Available online. URL http //www.ch.ic.ac.uk/vchemlib/ course/mo theory/main.html. 

These notes are based on lectures on molecular orbital theory that we have presented at the University of Copenhagen and Columbia University. They were designed primarily for advanced-undergraduate and first-year graduate students as an introduction to molecular orbital theory. 

Before leaving this brief introduction to molecular orbital theory, it is worth stressing one point. This model constructs a series of new molecular orbitals by the combination of metal and ligand orbitals, and it is fundamental to the scheme that the ligand energy levels and bonding are, and must be, altered upon co-ordination. Whilst the crystal field model probably over-emphasises the ionic contribution to the metal-ligand interaction, the molecular orbital models probably over-emphasise the covalent nature. 

The two books with Harry Gray [19, 32] are good pedagogical introductions to molecular orbital theory with emphasis on orbital symmetry and computational procedures. They are based on the lectures of the authors and the development of the extended Wolfsberg-Helmholz method. 

McWeeny, R. Methods of Molecular Quantum Mechtmics, 2ndedn. Academic, San Diego (1992) Nakajima, T. Quantum Chemistry - An Introduction to Molecular Orbital Theory (Japanese). Shokabo, Tokyo (2009)... 

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