Abstract
Abstract The energies of low-lying singlet and triplet ππ∗-, and nπ∗- states of nitroanilines and their methylated derivatives have been calculated with the aid of the PPP-method including the superposition of singly excited configurations. For these systems the spin-orbit coupling matrix elements between the ππ∗- and nπ∗- states of different multiplicities were estimated using one-electron and one-center approximations. The interpretation of the luminescent properties of nitroanilines in a dense medium is given. The dependence of the luminescence on temperature is predicted for molecules having the Tnπ∗- state located somewhat above the lowest Sππ∗- state.
Published Version
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