| 초록 |
A serious 3-(2,6-Dimethylphenyl)-7-R-imidazo[1,2-f]phenanthridine-based C^N-cyclometalated Ir(III) complexes, tris[3-(2,6-Dimethylphenyl)-7-R-imidazo[1,2-f]phenanthridin-12-yl-κC12,κN1]iridium (DMP) where R groups, varied with H, Me, F, and CF3, were designed and synthesized, and their photophysical properties were determined and compared favorably with those estimated by the quantum calculations. From DFT calculations, there appeared to be a general trend for controlling the energy of DMP. HOMO energy was mainly contributed either by the iridium metal or the ortho-metallated phenyl imidazole unit of phenanthridine ligand and LUMO by the whole phenanthridine ligand. The 7-positional modification was more susceptible to LUMO contribution. But electronic alteration done by the serial groups, H, Me, F, and CF3, from electron-donating to -withdrawing groups reversed to a general trend that is to say following the energy being smaller for F and CF3 than H and Me. |
