Synthesis, fluorescence properties and theoretical calculations of novel stilbene derivatives based on 1,3,4-oxadiazole bearing anthracene core.

Two novel stilbene derivatives bearing anthracene core based on 1,3,4-oxadiazole were efficiently synthesized and characterized by (1)H-NMR, mass spectrometry and elemental analysis. The optical properties of the title compounds were investigated by UV-vis absorption and fluorescence emission spectra in different solvents. Chemical calculations were performed by density functional theory (DFT) at the (B3LYP)/6-31G* level. The results show the two compounds exhibit strong green fluorescence emission ranged from 489-493 nm, and the fluorescence quantum yield ranged from 0.78-0.92. Their HOMO and LUMO levels are (-5.44 eV, -2.25 eV) and (-5.45 eV, -2.28 eV), respectively. The influence of the solvent on the fluorescence intensities was also discussed.