菲并咪唑衍生物蓝光材料的合成、光物理性质及理论计算  

Synthesis,Photophysical Properties and Theoretical Study of Blue Luminescence Materials Based on Phenanthro[9,10-d]Imidazole

作　　者：王殿巍 左青卉[1] 陆永波 田保[1] 徐亚州 翁思远 段潜[1] 李斌[2] WANG Dian-wei ZUO Qing-hui LU Yong-bo TIAN Bao XU Ya-zhou WENG Si-yuan DUAN Qian LI Bin(School of Materials Science and Engineering, Changchun University of Science and Technology, Changchun 130022, China State Key Laboratory of Luminescence and Applications, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun 130033, China)

机构地区：[1]长春理工大学材料科学与工程学院,吉林长春130022 [2]发光学及应用国家重点实验室中国科学院长春光学精密机械与物理研究所,吉林长春130033

出　　处：《发光学报》2016年第11期1346-1352,共7页Chinese Journal of Luminescence

基　　金：吉林省科技发展计划(20140204017GX)资助项目

摘　　要：合成了两个蓝光材料2-苯基-1H-[9,10-d]菲并咪唑(Phen-PI)和2-吡啶-1H-[9,10-d]菲并咪唑(PyriPI),光物理分析表明Phen-PI和Pyri-PI的最大发射峰分别位于371.5 nm,388.5 nm和403.5 nm,相对量子效率分别为0.383和0.528,激发态衰减寿命分别为3.87 ns和3.68 ns。通过密度泛函理论(DFT)对化合物的前线分子轨道成分和能级分布分析表明,当把Phen-PI中的苯基被吡啶环取代后,Pyri-PI的HOMO能级和LUMO能级分别下降0.09 e V和0.23 e V,同时Pyri-PI的HOMO轨道和LUMO轨道的能级差比Phen-PI减少0.14 e V,在理论层面上解释了Pyri-PI发射光谱的红移。Two blue luminescence materials 2-phenyl-1H-phenanthro[9,10-d] imidazole（ PhenPI） and 2-pyridin-2-yl-1H-phenanthro[9,10-d] imidazole（ Pyri-PI） were synthesized. The photophysical properties demonstrated the emission peaks of Phen-PI and Pyri-PI are 371. 5,388. 5 and403. 5 nm,the photoluminescent quantum yield is 0. 383 and 0. 528,the fluorescence decay lifetime is 3. 87 ns and 3. 68 ns. The Frontier molecular orbital compositions and distribution for Phen-PI and Pyri-PI were calculated by using density functional theory（ DFT）. The results indicate that the introduction of pyridyl group to phenanthro[9,10-d] imidazole makes HOMO and LUMO of Pyri-PI decline 0. 09 eV and 0. 23 eV respectively,the energy gap between HOMO and LUMO decrease0. 14 eV,which can explaine the red-shift of Pyri-PI emission in theory.

关 键 词：菲并咪唑 蓝光材料 光物理性能 

分 类 号：O62[理学—有机化学]