Citation: WANG Ying, WEI Chuan-Dong, GE Guo-Ping, WANG Sui, LIANG Yun-Xiao. Syntheses, Crystal Structures and Photophysical Properties of Ionic Iridium(Ⅲ) Pyrimidine Complexes[J]. Chinese Journal of Inorganic Chemistry, ;2018, 34(2): 346-352. doi: 10.11862/CJIC.2018.048 shu

Syntheses, Crystal Structures and Photophysical Properties of Ionic Iridium(Ⅲ) Pyrimidine Complexes

Faculty of Materials Science and Chemical Engineering, Ningbo University, Ningbo, Zhejiang 315211, China

Corresponding author: GE Guo-Ping, geguoping@nbu.edu.cn
Received Date: 19 August 2017
Revised Date: 16 November 2017

Figures(5)

A series of cyclometalated iridium(Ⅲ) complexes:[(PPM)₂Ir(bpy)]PF₆ (1), [(MPPM)₂Ir(bpy)]PF₆ (2), [(DFPPM)₂Ir(bpy)]PF₆ (3), [(MDFPPM)₂Ir(bpy)]PF₆ (4) (PPM=2-phenylpyrimidine, MPPM=4, 6-dimethyl-2-phenyl-pyrimidine, DFPPM=2-(2, 4-difluorophenyl)pyrimidine, MDFPPM=2-(2, 4-difluorophenyl)-4, 6-dimethylpyrimidine, bpy=2, 2'-bipyridine) were synthesized with pyrimidine compounds as cyclometalated ligand and 2, 2'-bipyridine as ancillary ligand. New iridium(Ⅲ) complexes were characterized by the NMR and mass spectroscopies, and the single crystal structures of complex 4 was measured. The photophysical properties of the complexes were studied by ultraviolet-visble (UV-Vis) absorption, photoluminescence and time-dependent density functionaltheory (TD-DFT) calculation. X-ray diffraction studies have revealed that complex 4 belongs to monoclinic system with space group of P2₁/c. A theoretical calculation reveals that the HOMO of 3 and 4 is mainly distributed on the iridium ion and the phenyl group of the cyclometalated ligands, while the LUMO is mainly centered on the ancillary ligand bpy. In CH₂Cl₂ solution, the iridium(Ⅲ) complexes 1 and 2 exhibit yellow-green emissions with peak at 561 and 572 nm, respectively, while the iridium(Ⅲ) complexes 3 and 4 exhibit green emissions with peak at 501 and 513 nm, respectively. The iridium(Ⅲ) complexes had quantum efficiencies between 6.7% and 64.0%.
- ionic iridium(Ⅲ) complex,
- pyrimidine,
- phosphorescent material,
- OLED
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