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  

Synthesis and Photoelectrical Properties of Room-Temperature Phosphorescent (ppy)_2Ir(pybi) Complex

作　　者：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] 

机构地区：[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

出　　处：《物理化学学报》2012年第7期1593-1598,共6页Acta Physico-Chimica Sinica

基　　金：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);山西省自然科学基金(2008011008,2010021023-2)资助~~

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(1HNMR)、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442nm,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518nm;(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-3.43eV,光学带隙为2.68eV;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508nm,最大亮度为8451cd·m-2,最大电流效率为17.6cd·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.A blue-green emitter of iridium（III） complex （ppy）2lr（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 time- dependent density functional theory （TD-DFT）. The electrophosphorescent performance of （ppy）21r（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 CH2CI2 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）21r（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）21r（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）21r（pybi） in the organic electroluminescent field.

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 

分 类 号：O627[理学—有机化学]