咪唑类荧光材料的合成与发光性能研究

一锅法合成了5种三元取代咪唑类荧光化合物,对所合成的全部化合物的结构进行了表征。刚性结构和共轭结构是影响物质荧光性能的两个重要参数,利用密度泛函理论方法(GGA/BP)得出了分子的平衡结构,计算了咪唑环4,5位上两个苯环的二面角。首次利用分子模拟手段从理论上分析了化合物的荧光性能,为探讨不同的取代基对整个分子刚性结构的影响提供了理论依据。通过紫外光谱、荧光发射光谱探讨了这些物质的荧光发射波长,斯托克斯位移,荧光量子收率等荧光参数。

Study on synthesis and fluorescent properties of a series of trisubstituted imidazoles

Five types of Trisubstituted imidazole fluorescent compounds were synthesized with one pot method,their structures and fluorescent properties were measured.Rigid structure and conjugate structure were two of the important influencing factors of fluorescent properties.Dihedral angle of two benzene in the 4,5 positions of imidazole was calculated by means of density functional theory.The paper discussed fluorescent wave,Stoke's shift,quantum yield of all the fluorescent compounds.