2,6-二(2-羟基苯乙烯基)-4-甲基均三嗪的合成与性质研究  

The synthesis and characterisation of 2,6-di(2-hydroxy-styryl)4-dimethyl-1,3,5-triazine

作　　者：周子彦[1] 吉健[1] 王华静[1] 

机构地区：[1]山东理工大学化学工程学院,山东淄博255049

出　　处：《分子科学学报》2013年第3期232-236,共5页Journal of Molecular Science

基　　金：山东省自然科学基金资助项目(ZR2009BL024)

摘　　要：设计合成了以三嗪基团为骨架的化合物2,6-二(2-羟基苯乙烯基)-4-甲基均三嗪(M1),利用核磁共振H谱和C谱对其结构进行了表征;并对目标化合物在甲醇和乙醚中的紫外,荧光光谱进行了研究.利用量子化学密度泛函理论的B3LYP方法,在6-311+G*水平上,对标题化合物分子构型进行了理论计算.通过实验发现随着溶剂极性增加,紫外吸收峰和荧光光谱的发射峰都发生红移,同时得到的计算光谱数值与实验值吻合较好.The triazine group for skeleton compounds 2,6-di（2-hydroxy-styryl）-4-dimethyl-1,3,5-tria- zine（M1）were designed and synthesized. 1H NMR and 13C NMR were used to characterize the struc- ture of the samples, and their UV-Vis absorption and fluorescence spectrum were studied too. Density functional theory （DFT） with B3LYP method at the 6-311＋G＊ basis set was used to investigate the compound M1. Through the experiment, we found that with the increase of solvent polarity, ultravio- let absorption peak and fluorescence spectrum of the emission peak happen red shift. The result showed that the data gotten by theoretical calculation was in accordance with experimental value.

关 键 词：1  3  5-均三嗪衍生物 合成 红移 密度泛函理论 

分 类 号：O643[理学—物理化学]