利用低温重氮化法分别合成了含单偶氮基的噻唑衍生物2-(5-二甲氨基苯酚)-偶氮基噻唑和含双偶氮基的噻唑衍生物2,5-二-(5-二甲氨基苯酚)-二偶氮基噻唑,采用元素分析、质谱、红外光谱(IR)、核磁共振氢谱(1H-NMR)等对化合物进行了表征,利用高斯03DFT//B3LYP/6-31G*对化合物的分子结构进行了优化,结果表明,单偶氮基的噻唑衍生物呈良好的平面结构,而双偶氮基的噻唑衍生物为扭曲的非平面结构,前者具有较高热稳定性。采用飞秒Z-扫描技术研究了化合物的非线性折射性质,结果显示,两个化合物非线性折射率均达到5×10-20m2·W-1以上,分子结构对化合物的非线性折射性质有重要影响。
Two kinds of azo-thiazole derivatives,2-( 5-dimethylaminophenol)-azoylthiazole and 2,5-di-( 5-dimethylaminophenol)-diazoylthiazole were synthesized under low temperature by a diazotization reaction and they were characterized by IR,ESI-MS,1H-NMR and element analysis. Their molecular structures were optimized by Gaussian 03 with DFT / / B3 LYP /6-31G*. The computational results suggested that one with single azo group displayed a planar structure,and the other with double azo groups displayed a distorted nonplanar structure. The former has better thermal stability. Their optical nonlinear properties were investigated by a femtosecond Z-scan technique. The nonlinear refractive indices of two compounds are more than 5 × 10- 20m2·W- 1. The molecular structure has an important influence on the nonlinear refraction property of the compound.