Synthesis, X-ray Studies and Photophysical Properties of Iridium(III) Complexes Incorporating Functionalized 2,2':6',2″ Terpyridines and 2,6-Bis(thiazol-2-yl)pyridines.

A series of iridium(III) triimine complexes incorporating 2,2':6',2″-terpyridine (terpy) and 2,6-bis(thiazol-2-yl)pyridine (dtpy) derivatives were successfully designed and synthesized to investigate the impact of the peripheral rings (pyridine, thiazole) and substituents (thiophene, bithiophene, EDOT) attached to the triimine skeleton on their photophysical properties. The Ir(III) complexes were fully characterized using IR, (1)H, elemental analysis and single crystal X-ray analysis. Their thermal properties were evaluated using TGA measurements. Photoluminescence spectra of [IrCl(3)L(1-6)] were investigated in solution at 298 and 77 K. The experimental studies were accompanied by DFT/TDDFT calculations. The photophysical properties of the synthesized triimine ligands and Ir(III) complexes were studied in detail by electronic absorption and emission. In solution, they exhibited photoluminescence quantum yields ranging from 1.27% to 5.30% depending on the chemical structure. The experimental research included DFT/TDDFT calculations. The photophysical properties of the synthesized triimine ligands and Ir(III) complexes were conducted using electronic absorption and emission techniques. In solution, they displayed photoluminescence quantum yields ranging from 1.27% to 5.30% depending on the chemical structure.