Phenanthro[9′,10′:4,5]imidazo[2,1-a]isoquinoline derivatives containing phenoxazine moiety: Synthesis and photophysical properties

Abstract Two novel phenanthro[9′,10′:4,5]imidazo[2,1-a]isoquinoline derivatives containing phenoxazine moiety were synthesized and characterized by elemental analysis, NMR, MS and FT-IR spectra. Their structures were characterized by single crystal X-ray diffraction. Their photophysical and electrochemical properties and thermal stabilities were investigated systematically. The ground state geometries and electronic distributions in HOMO and LUMO energy levels of the phenanthro[9′,10′:4,5]imidazo[2,1-a]isoquinoline derivatives were calculated by density functional theory (DFT) and time-dependent density functional theory (TD-DFT) at B3LYP/6-31G(d) level.