Citation: 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 Physico-Chimica Sinica, 2013, 29(05): 1115-1122. doi: 10.3866/PKU.WHXB201302253
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
合成了一种新型红色磷光配合物二(1-苯基咪唑) (1-苯基异喹啉)合铱((ppz)2Ir(piq)), 通过核磁共振氢谱(1H NMR)对其结构进行了表征, 通过紫外-可见(UV-Vis)吸收光谱、荧光光谱、低温磷光光谱、循环伏安法及含时密度泛函理论(TD-DFT)对其光物理性能及能级结构进行了研究. 制备了一系列基于(ppz)2Ir(piq)的电致发光器件, 研究了(ppz)2Ir(piq)的电致发光性质. 结果表明, (ppz)2Ir(piq)的UV-Vis 吸收峰主要位于296、342、395 和460 nm, 固态粉末的室温磷光发射峰位于618 nm, 在2-甲基四氢呋喃(2-MeTHF)溶液中其低温磷光发射峰位于598 nm, 其三线态能级(ET)为2.07 eV. (ppz)2Ir(piq)的最高占据轨道(HOMO), 其主要定域于配体ppz 和金属Ir(III)上, 最低未占据轨道(LUMO)主要定域于配体piq 上. (ppz)2Ir(piq)的HOMO和LUMO 能级分别为-5.92和-3.62 eV. 基于(ppz)2Ir(piq)电致发光器件的优化掺杂浓度为8%-12% (w), 最大电致发光谱峰位于616 nm,最大电流效率约10 cd·A-1, 最大功率效率为4.44 lm·W-1, 色坐标保持在(0.65, 0.35)附近, 是一种潜在的饱和红光磷光材料.
English
Synthesis and Optoelectronic Properties of a Red-Emitting Iridium(III) Complex Containing 1-Phenylpyrazole
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 (ET) 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.
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