Abstract
ONE of the more successful descriptions of the electronic structure of aromatic hydrocarbons has been given by molecular orbital theory. Originally formulated by Huckel1, it has been developed and modified by many different authors. An account of the molecular orbital theory in its various forms has been given by Daudel, Moser and Lefebvre2. There are two relationships given by molecular orbital theory which are of interest. The first, concerning the ionization potential I of the molecule, is: where α is the coulomb integral, β the exchange integral and xi is a number characteristic of the molecule.
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References
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SLIFKIN, M. Molecular Orbital Theory and Experimentally Determined Energy-levels. Nature 200, 877–879 (1963). https://doi.org/10.1038/200877b0
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DOI: https://doi.org/10.1038/200877b0
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