Simulation of Shpolskii spectra within a simple π-electron model

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It is shown that a semiempirical π-electron model makes it possible, for a proper choice of the two parameters describing the electron-electron interaction, to reproduce the position of long-wavelength unshifted lines in fluorescence and phosphorescence Shpolskii spectra of benzene, coronene, kekulene, and other polycyclic hydrocarbons accurate to 0.01–0.03 eV. The shift of these lines under the action of a solid solvent is described as a result of the dielectric effect of the crystal as a whole, and the line splitting is attributed to the action of the local environment on the protruding parts of molecules.