物理化学学报Issue(5)：1115-1122,8.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
Synthesis and Optoelectronic Properties of a Red-Emitting Iridium(III) Complex Containing 1-Phenylpyrazole
摘要
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 4,4ʹ-bis(9-carbazolyl)-1, 1ʹ-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 Il umination (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.关键词
红色磷光材料/1-苯基吡唑/1-苯基异喹啉/光电特性/掺杂浓度Key words
Red phosphorescence material/1-phenylphrazole/1-phenylisoquinoline/Optoelectronic characteristic/Doping concentration分类
化学化工引用本文复制引用
任静琨,许慧侠,屈丽桃,郝玉英,王华,许并社..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[J].物理化学学报,2013,(5):1115-1122,8.基金项目
教育部长江学者与创新团队发展项目(IRT0972),国家国际科技合作(2012DFR50460),国家自然科学基金(21071108,60976018,21101111,61274056,61205179),山西省自然科学基金(2010021023-2,2011021022-2)及山西省科技攻关项目(20120321019)资助.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) （IRT0972）
