Abstract
The π-electron charges, bond orders, and energy levels of phenoxazin-3-one and eight of its mono- and diannelated derivatives were calculated by the Hückel MO LCAO method. The effect of the position of the annelated benzene ring on the electronic characteristics of the compounds was estimated. A satisfactory correlation between the experimental and calculated energies of the π1→ π1 transitions was found.
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Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 10, pp. 1316–1322, October, 1970.
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Pashkevich, K.I., Afanas'eva, G.B., Kovalev, E.G. et al. Chemistry of the phenoxazines. Chem Heterocycl Compd 6, 1226–1231 (1970). https://doi.org/10.1007/BF00755062
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DOI: https://doi.org/10.1007/BF00755062