Two new iridium (III) complexes (Ir1-Ir2) bearing different fluorinated 2-(biphenyl-4-yl)-2H-indazole-based compounds as cyclometalated ligands and Xantphos as an ancillary ligand were synthesized and fully characterized. The ultraviolet (UV)-vis absorption, photoluminescence, and electrochemistry properties were studied. The single crystal structures of Ir1-Ir2 were determined by X-ray diffraction, showing each adopts the distorted octahedral coordination geometry. To gain insights into the lowest energy electron transitions and the lowest triplet excited states, density functional theory calculations were used to further investigate the origination. Two complexes emit yellow photoluminescence with quantum yields of 49.7-72.5% in solution at room temperature. Their Commission Internationale de L'Eclairage color coordinates are (0.42, 0.53) and (0.39, 0.47), respectively.

Two new iridium(III) complexes were synthesized and fully characterized, [(bo) 2 Ir(pzpy)] (2a) and [(bo) The single crystal structures of 2a-2b have been determined. Considering the relationship between their structures and photophysical properties, DFT calculations have been used to further support this inference. These Ir(III) complexes emit from the excited state of 3 MLCT/ 3 LLCT in the green and yellow region, and the quantum yields in the degassed CH 2 Cl 2 solution at room temperature are 35.2% and 46.1%. Theoretical and experimental results show that iridium(III) complexes 2a-2b are promising phosphorescent material.