以1-苯基吡唑为主配体的红光Ir(III)配合物的合成及光电特性

doi:10.3866/PKU.WHXB201302253

Acta Phys. -Chim. Sin. ›› 2013, Vol. 29 ›› Issue (05): 1115-1122.doi: 10.3866/PKU.WHXB201302253

• PHYSICAL CHEMISTRY OF MATERIALS • Previous Articles

Synthesis and Optoelectronic Properties of a Red-Emitting Iridium(III) Complex Containing 1-Phenylpyrazole

REN Jing-Kun¹, XU Hui-Xia^2,3, QU Li-Tao¹, Zhang Ye¹, HAO Yu-Ying^1,2, WANG Hua^2,3, XU Bing-She^2,3

1 Department of Physics and Optoelectronics, Taiyuan University of Technology, Taiyuan, 030024, P.R. China;
2 Research center of Advanced Material science and Technology Taiyuan University of Technology, Taiyuan, 030024, P.R. China;
3 Key Laboratory of Interface Science and Engineering in Advanced Materials, Taiyuan University of Technology, Taiyuan, 030024, P.R. China

Received:2012-12-05 Revised:2013-02-25 Published:2013-04-24
Supported by:
The project was supported by the Program for Changjiang Scholar and Innovation Research Team in University, China (IRT0972), International Science & Technology Cooperation Program of China (2012DFR50460), National Natural Science Foundation of China (21071108, 60976018, 21101111, 61274056, 61205179), Natural Science Foundation of Shanxi Province, China (2010021023-2, 2011021022-2), and Key Scientific and Technological Project of Shanxi Province, China (20120321019).

Abstract

Abstract:

The synthesis, characterization, photophysical and electrophosphorescent properties of iridium(III) complex [(ppz)₂Ir(piq)] (ppz=1-phenylpyrazole, piq=1-phenylisoquinoline) are reported. The structure was defined by proton nuclear magnetic resonance (¹H NMR). The photophysical properties and energy-level structure of [(ppz)₂Ir(piq)] are studied by ultraviolet-visble (UV-Vis) absorption, fluorescence, and phosphorescent spectroscopies at 77 K, cyclic voltammetry (CV), and time-dependent density functional theory (TD-DFT) calculation. The electroluminescent properties of [(ppz)₂Ir(piq)] using 4,4'-bis(9-carbazolyl)-1, 1'-biphenyl (CBP) as a host are investigated. Absorption bands of [(ppz)₂Ir(piq)] are located at about 296, 342, 395, and 442 nm. [(ppz)₂Ir(piq)] exhibits red phosphorescent emission with a peak at 618 nm in CH₂Cl₂ solution at room temperature and 598 nm in 2-methyltetrahydrofuran (2-MeTHF) at 77 K, from which its triplet state energy (E_T) is estimated to be 2.07 eV. The highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) levels of [(ppz)₂Ir(piq)] are -5.92 and -3.62 eV, respectively. A theoretical calculation reveals that the HOMO of [(ppz)₂Ir(piq)] is mainly distributed on ppz and the iridium ion, while the LUMO is mainly centered on piq. Organic light-emitting diodes (OLEDs) containing [(ppz)₂ Ir(piq)]- doped CBP emitting layer exhibit an electroluminescence (EL) maximum at 616 nm, an optimized doping concentration of 8%-12% (w), maximum current efficiency of about 10 cd·A^-1, maximum power efficiency of 4.44 lm·W^-1, and International Commission on Illumination (CIE) coordinates of (0.65, 0.35). This investigation provides an important experimental basis for the application of [(ppz)₂Ir(piq)] in organic electroluminescent devices.

Key words: Red phosphorescence material, 1-phenylphrazole, 1-phenylisoquinoline, Optoelectronic characteristic, Doping concentration

REN Jing-Kun XU Hui-Xia, QU Li-Tao, Zhang Ye, HAO Yu-Ying, WANG Hua, XU Bing-She. Synthesis and Optoelectronic Properties of a Red-Emitting Iridium(III) Complex Containing 1-Phenylpyrazole[J].Acta Phys. -Chim. Sin., 2013, 29(05): 1115-1122.

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Synthesis and Optoelectronic Properties of a Red-Emitting Iridium(III) Complex Containing 1-Phenylpyrazole

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