物理化学学报 >> 2012, Vol. 28 >> Issue (07): 1593-1598.doi: 10.3866/PKU.WHXB201204181

热力学，动力学和结构化学 上一篇    下一篇

室温磷光材料二(2-苯基吡啶)(2-(2-吡啶)苯并咪唑)合铱(III)的合成及光电特性

岳岩1, 许慧侠2, 郝玉英1,2, 解晓东1, 屈丽桃1, 王华2, 许并社2   

  1. 1. 太原理工大学物理与光电工程学院, 太原 030024;
    2. 太原理工大学新材料界面科学与工程教育部重点实验室, 太原 030024
  • 收稿日期:2011-12-22 修回日期:2012-03-31 发布日期:2012-06-07
  • 通讯作者: 许慧侠, 郝玉英 E-mail:hyy_123991@sina.com; xuhuixia0824@163.com
  • 基金资助:

    国家自然科学基金(21071108, 60976018, 21101111, 51002102), 教育部长江学者与创新团队发展项目(IRT0972)及山西省自然科学基金(2008011008, 2010021023-2)资助

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

YUE Yan1, XU Hui-Xia2, HAO Yu-Ying1,2, XIE Xiao-Dong1, QU Li-Tao1, WANG Hua2, XU Bing-She2   

  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:2011-12-22 Revised:2012-03-31 Published:2012-06-07
  • Contact: XU Hui-Xia, HAO Yu-Ying E-mail:hyy_123991@sina.com; xuhuixia0824@163.com
  • Supported by:

    The project was supported by the National Natural Scinace Foudation of China (21071108, 60976018, 21101111, 51002102), Program for Changjiang Scholar and Innovative Research Team in University of Ministry of Education of China (IRT 0972), and Natural Science Foundation of Shanxi Province, China (200811008, 2010021023-2).

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摘要：

以2-苯基吡啶(ppy)为主配体, 2-(2-吡啶)苯并咪唑(pybiH)为辅助配体合成了一种室温蓝绿色磷光发射材料二(2-苯基吡啶)( 2-(2-吡啶)苯并咪唑)合铱(III) ((ppy)2Ir(pybi)), 通过傅里叶变换红外(FTIR)光谱、核磁共振氢谱(1H NMR)、质谱(MS)、元素分析对其结构进行了表征. 利用紫外-可见吸收光谱、荧光激发和发射光谱、循环伏安曲线, 结合含时密度泛函理论(TD-DFT)模拟计算研究了(ppy)2Ir(pybi)的光物理特性及能级结构, 并研究了其电致发光性能. (ppy)2Ir(pybi)的紫外吸收峰分别位于250, 295, 346和442 nm, 与理论模拟计算吻合得很好;(ppy)2Ir(pybi)为蓝绿光发射, 发光峰分别位于495 和518 nm; (ppy)2Ir(pybi) 的最高占据轨道(HOMO)和最低空轨道(LUMO)能级分别为-6.11和-3.43 eV, 光学带隙为2.68 eV; 以(ppy)2Ir(pybi)为掺杂剂, 4,4'-N,N'-二咔唑基联苯(CBP)为主体材料, 制备电致磷光器件, 电致发射峰位于508 nm, 最大亮度为8451 cd·m-2, 最大电流效率为17.6 cd·A-1. 这些研究为(ppy)2Ir(pybi)在有机电致发光领域的应用提供实验依据.

关键词: 磷光发射材料, 2-苯基吡啶, 2-(2-吡啶)苯并咪唑, 光电特性, 分子轨道

Abstract:

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 good 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.

Key words: Phosphorescent emitting material, 2-Phenylpyridine, 2-(2-Pyridyl)benzimdazole, Photoelectrical property, Molecular orbital