噻唑杂环偶氮分散染料的合成及电子光谱计算
Syntheses of Thiazole Heterocyclic Azo-Disperse Dyes and Calculation of Their Electronic Absorption Spectra
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摘要: 以2-氨基噻唑衍生物为重氮组分,以N,N-二取代苯胺衍生物为偶合组分,合成、提纯了一系列文题化合物。用改进的SCF-PPP-CI程序进行分子结构的模型计算,得到染料最大吸收波长的计算值,与实验值关联结果,线性关系良好。Abstract: Using derivatives of 2-aminothiazole as diazo components and derivatives of N, N-disubstituted aniline as coupling components, the authors synthesized and purified twe-nty different thiazole heterocyclic azo-disperse dyes. The maximal absorption Wavelengths of the dyes were calculated by the modified SCF-PPP-CI method and compared with experi-mental data. A good linear relation has been found.