Synthesis and Properties of New Imidazole-Based Organic Fluorescent Small Molecule

A series of phenothiazine (or triphenylamine)-substituted imidazoles were designed and synthesized as new organic fluorescent molecules by multi-step reactions. The relationship of their photoluminescence properties and structure was inves- tigated via UV-Vis, fluorescence and electrochemical analyzer. Their highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) distributions were calculated by density functional theory (DFT) (B3LYP; 6-31G*) calculations. The high fluorescence quantum yields, desirable HOMO levels and high thermal stabilities of products indicated that the combination of imidazole and phenothiazines or triphenylamine is an efficient way to enhance hole transporting ability and fluorescent quantum yield.