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 1H-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.