Citation: YUE Yan, XU Hui-Xia, HAO Yu-Ying, XIE Xiao-Dong, QU Li-Tao, WANG Hua, XU Bing-She. Synthesis and Photoelectrical Properties of Room-Temperature Phosphorescent (ppy)₂Ir(pybi) Complex[J]. Acta Physico-Chimica Sinica, ;2012, 28(07): 1593-1598. doi: 10.3866/PKU.WHXB201204181 shu

Synthesis and Photoelectrical Properties of Room-Temperature Phosphorescent (ppy)₂Ir(pybi) Complex

YUE Yan ¹ ,
XU Hui-Xia ^2, ,
HAO Yu-Ying ^1,2, ,
XIE Xiao-Dong ¹ ,
QU Li-Tao ¹ ,
WANG Hua ² ,
XU Bing-She ²

1.
1. College of Physics and Optoelectronics, Taiyuan University of Technology, Taiyuan, 030024, P. R. China;
2. Key Laboratory of Interface Science and Engineering in Advanced Materials, Ministry of Education, Taiyuan University of Technology, Taiyuan, 030024, P. R.China

Received Date: 22 December 2011
Available Online: 18 April 2012
Fund Project: 国家自然科学基金(21071108, 60976018, 21101111, 51002102) (21071108, 60976018, 21101111, 51002102) 教育部长江学者与创新团队发展项目(IRT0972) (IRT0972)山西省自然科学基金(2008011008, 2010021023-2)资助 (2008011008, 2010021023-2)

A blue-green emitter of iridium(III) complex (ppy)₂Ir(pybi), has been synthesized (ppy= 2-phenyridine and pybi=2-(2-pyridyl)benzimdazole) and its structure was characterized by Fourier transform infrared (FT-IR) spectroscopy, proton nuclear magnetic resonance (1H NMR), mass spectroscopy (MS), and elemental analysis. Its photophysical properties and energy-level structure were studied by UV-Vis absorption, excitation and emission spectroscopy, and cyclic voltammetry combining timedependent density functional theory (TD-DFT). The electrophosphorescent performance of (ppy)₂Ir(pybi) was characterized by using 4,4'-bis(9-carbazolyl)-1,1'-biphenyl (CBP) as host. The results indicated that the UV-Vis absorption bands were located at 250, 295, 346, and 442 nm, which were in od agreement with the TD-DFT simulation results. The blue-green phosphorescent emission was observed with peaks at 495, 518 nm in CH2Cl2 solution at room temperature. The highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO) energy levels and optical gap were -6.11, -3.43, and 2.68 eV, respectively. Theoretical calculation revealed that the HOMO for (ppy)₂Ir(pybi) was mainly distributed on the ppy ligand and the iridium ion, whereas the LUMO was centered mainly on the pybi ligand. The device based on the system of (ppy)₂Ir(pybi) doped into CBP has an electroluminescence (EL) spectrum with a peak wavelength of 508 nm, a maximum luminance of 8451 cd·m^-2, and a maximum current efficiency of 17.6 cd·A^-1. These investigations will provide an important experimental basis for the application of (ppy)₂Ir(pybi) in the organic electroluminescent field.
- Phosphorescent emitting material,
- 2-Phenylpyridine,
- 2-(2-Pyridyl)benzimdazole,
- Photoelectrical property,
- Molecular orbital
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Synthesis and Photoelectrical Properties of Room-Temperature Phosphorescent (ppy)₂Ir(pybi) Complex