CHIN-HUNG LAI2026-10-162026-10-162009-05-04Pure ID: 15039537Pure UUID: 8de1b3d5-8e9e-491a-a668-85102674967110.1002/asia.200800468https://www.scopus.com/pages/publications/67650318538https://scholars.csmu.edu.tw/handle/123456789/30353Rational design and synthesis of Ir III complexes (1-3) bearing two cyclometalated ligands (C^N) and one 2- (diphenylphosphino)phenolate chelate (P^O) as well as the corresponding IrIII derivatives (4-6) with only one (C^N) ligand and two P^O chelates are reported, where (C^NH)=phenylpyridine (ppyH), 1-phenylisoquinoline (piqH), and 4-phenylquinazoline (nazoH). Single crystal X-ray diffraction studies of 3 reveal a distorted octahedral coordination geometry, in which two nazo ligands adopt an eclipsed configuration, with the third P^O ligand located trans to the phenyl group of both nazo ligands, confirming the general skeletal pattern for 1-3. In sharp contrast, complex 4 reveals a trans-disposition for the PPh 2 groups, along with the phenolate groups residing opposite the unique cyclometalated ppy ligand, which is the representative structure for 4-6. These Ir III complexes exhibit green-to-red photoluminescence with moderate to high quantum efficiencies in the degassed luid state and bright emission in the solid state. For 1-6, the resolved emission spectroscopy and relaxation dynamics are well rationalized by the computational approach. OLEDs fabricated using 12 wt.% of 3 doped in CBP and with BCP as hole blocking material, give bright electroluminescence with max= 628 nm and CIE xy coordinates (0.65, 0.34). The turn-on voltage is 3.2 V, while the current efficiency and the power efficiency reach 11.2 cd A -11 and 4.5 lm W -1 at 20 mA cm -2. The maximum efficiency reaches 14.7 cd A -1and 6.8 lm W -1 upon switching to TPBI as hole blocking material. For evaluating evice lifespan, the tested device incorporating CuPc as a passivation layer, 3 doped in CTP as an emitting layer, and Alq as hole blocking material, shows a remarkably long lifetime up to 36000 h at an initial luminance of 500 cd m -2.12enjournal article