Abstract
Abstract The charge transport and optical properties of aromatic ring substituents symmetrically-substituted diarylmaleic anhydrides is studied based on the Marcus–Hush theory and quantum chemistry calculations. The molecule with benzene substituents (1) exhibits the balanced hole and electron charge transport properties. Among three molecules, molecule with thiophene substituents (2) shows the maximum carrier mobility. The frontier molecular orbitals analysis turned out that molecule with indole substituents (3) is characterized as intramolecular charge transfer. The absorption and emission spectra indicate that the aromatic substituents can affect optical properties of molecules. 2 might be promising luminescent material for organic light-emitting diodes.
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