新型咪唑类有机荧光小分子的合成及其性质研究
发布时间：2018-10-09 21:20
【摘要】：设计并合成了一系列新型吩噻嗪(或三苯胺)-取代的咪唑类有机荧光小分子,通过紫外-可见、荧光和电化学法分析了其光致发光性能和结构的关系.采用密度泛函(DFT)理论(B3LYP/6-31G(d)计算基组)计算了该化合物的最高占据分子轨道(HOMO)和最低未占分子轨道(LUMO)分布.产物的高荧光量子产率、高HOMO能级和高的热稳定性表明:咪唑和吩噻嗪或三苯胺的结合可有效提高产物空穴传输能力和荧光量子产率.
[Abstract]:A series of novel phenothiazine (or trianiline) substituted imidazole organic fluorescent molecules were designed and synthesized. The relationship between photoluminescence properties and structures was analyzed by UV-Vis, fluorescence and electrochemical methods. The density functional (DFT) theory (B3LYP/6-31G (d) basis set) was used to calculate the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) distribution of the compound. The high fluorescence quantum yield, high HOMO level and high thermal stability show that the combination of imidazole and phenothiazine or trianiline can effectively improve the hole transport ability and fluorescence quantum yield of the product.
【作者单位】： 江苏师范大学化学化工学院;江苏药食植物生物技术国家重点实验室培育点;
【基金】：国家自然科学基金(No.81302643) 中国博士后科学基金面上基金(No.2014M552374)资助项目~~
【分类号】：O626
，
本文编号：2260834
[Abstract]:A series of novel phenothiazine (or trianiline) substituted imidazole organic fluorescent molecules were designed and synthesized. The relationship between photoluminescence properties and structures was analyzed by UV-Vis, fluorescence and electrochemical methods. The density functional (DFT) theory (B3LYP/6-31G (d) basis set) was used to calculate the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) distribution of the compound. The high fluorescence quantum yield, high HOMO level and high thermal stability show that the combination of imidazole and phenothiazine or trianiline can effectively improve the hole transport ability and fluorescence quantum yield of the product.
【作者单位】： 江苏师范大学化学化工学院;江苏药食植物生物技术国家重点实验室培育点;
【基金】：国家自然科学基金(No.81302643) 中国博士后科学基金面上基金(No.2014M552374)资助项目~~
【分类号】：O626
，
本文编号：2260834
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