Abstract

Abstract Huckel M.O. and Pariser-Parr-Pople M.O. calculations have been carried out on some cyclic oxocarbons. The calculated charge density, bond order, electronic transition energy, and oscillator strength values are compared with experimentally determined values where available. The Pariser-Parr-Pople M.O. calculations of electronic transition energies give good agreement with the experimental energies and provide a satisfactory explanation of the electronic structure of the oxocarbons, tetrahydroxy-p-benzoquinone, squaric acid, croconic acid and rhodizonic acid.

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