| Abstract | The ultraviolet, fluorescence, and phosphorescence spectra as well as the corresponding polarized excitation spectra were recorded for phenoxazine, phenothiazine, and phenoxthiin at 80 °K and discussed in terms of a number of theoretical transitions, calculated by a configuration interaction π-electron approximation.The computed transition energies and the reactivity indices (π-electronic charge, mobile bond order, free-valence index, superdelocalizability index, and localization energy) are in good agreement with experimental data and chemical evidence. |
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