| 林朝阳,赵鑫,戚裕,戴国梁.化学通报,2015,78(4):342-346. |
| 一种苯并咪唑类双极性蓝色磷光主体材料的合成及性能 |
| Synthesis and properties of Benzoimidazole Derivatives as Bipolar Host Materials for Blue Phosphorescent Organic Light-emitting Diodes |
| 投稿时间：2014-08-11 修订日期：2014-09-26 |
| DOI： |
| 中文关键词: 苯并咪唑 主体材料 双极性 蓝色磷光器件 |
| 英文关键词:benzoimidazole host material biplor blue phosphorescent OLEDs |
| 基金项目:国家自然科学基金(21203135)资助；江苏省研究生科研创新计划项目(CXLX12_0877)资助。 |
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| 中文摘要: |
| 设计合成了一种基于苯并咪唑的新型双极性蓝色磷光主体材料,即1-苯基-2-[4-(N-咔唑基)苯基]苯并咪唑(PCPB),并对其结构进行了表征。通过紫外-可见(UV-Vis)、荧光、低温磷光、循环伏安法、热重分析(TGA) 和密度泛函理论(DFT)对其性能及结构进行了研究。结果表明,PCPB在CH2Cl2稀溶液中的吸收峰位于296和368 nm；发射峰位于401 nm,属于深蓝色荧光；PCPB的低温(77 K)磷光光谱的第一吸收峰位于452 nm,其三线态能级为2.74 eV,与蓝色磷光材料FIrpic(2.62 eV)的能级相匹配；PCPB的HOMO主要分布在苯基咔唑单元,而LUMO主要定域在苯并咪唑环上。其HOMO能级为-5.54 eV,与阳极ITO的功函(-4.5～-5.0 eV)相匹配,LUMO能级为-2.68 eV,接近于电子传输材料PBD(-2.82 eV),PCPB表现出双极传导性能, 且热稳定性良好。 |
| 英文摘要: |
| A novel phosphorescent host materials, 1-phenyl-2- [4-(N- carbazol-9-yl)phenyl] benzoimidazole (PCPB), was designed and synthesized, and its structure was characterized by means of 1H NMR and 13C NMR. The photophysical properties and energy-level structure of PCPB were studied by ultraviolet-visble (UV-Vis) absorption, fluorescence, phosphorescent spectroscopies at 77 K, cyclic voltammetry (CV), thermogravimetric Analysis and density functional theory(DFT). The results show that the maximum absorption wavelengths are located at about 301, 368 nm in dilute CH2Cl2 solution. PCPB can emit navy blue photofluorescence at 401 nm in dilute CH2Cl2 solution, and exhibits blue phosphorescent emission at 452 nm from the highest-energy vibronic subband at 77 K, from which its triplet state energy (ET) is estimated to be 2.74 eV. PCPB can be used as host material for the blue emitter bis(4,6-difluorophenylpyridine)(picolinate)(Ⅲ) (Firpic) in PhOLED. DFT theoretical calculation reveals that the highest occupied molecular orbital (HOMO) of PCPB is mainly distributed on N-phenly carzole moiety, while the lowest unoccupied molecular orbital(LUMO) is mainly dispersed over the benzoimidazole moiety. Cyclic voltammetry measurement shows that HOMO energy level of PCPB is located in -5.54 eV, which match with the energy levels of ITO; LUMO energy level of PCPB is located in -2.68 eV, which is close to the energy level of PBD (-2.82 eV). So PCPB possess bipolar properties of hole and electron transport, and has good thermal stability. |
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