Some Observations on Molecular Orbital Theory   

James F. Harrison

Department of Chemistry, Michigan State University, East Lansing, MI 48824-1322    

Daniel B. Lawson

Department of Natural Science, University of Michigan-Dearborn, Dearborn, MI 48128-1491    

Abstract

The authors show, according to molecular orbital theory, why molecular orbital energies are not equally spaced above and below their constituent atomic orbital energies. Also, comments are made describing MO theory's ability to predict experimental properties such as bond length, dissociation energy, and the theory's incorrect ordering of the low-lying electronic states of C2.

Journal of Chemical Education, 2005, 82, 1205            Full text (PDF)

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