【摘要】 通过对所成合的３４个１，３．４－及 １，２．４－噻哒唑系杂环偶氮染料和１７个苯系偶氮染料测定的光谱数据的讨论及对部分噻哒唑系染料进行的ＰＰＰ－ＭＯ法计算．研究了噻哒唑系杂环偶氮染料分子结构与颜色之间的关系，并确定了一组有关ＰＰＰ－ＭＯ法计算的参数。计算结果与实验结果吻合，且可用于解释噻哒唑杂环结构对颜色灼影响。更多还原

【Abstract】 The relationship between the colour and constitution of the dyes are studied by measured absorption spectra of 34 1, 3, 4-and 1, 2, 4-thio- diazole heterocyclic azo dyes and 17 aminobenzene azo dyes. The PPP-MO are successfully applied to predicting the spectra of thiodiazole heterocyclic azo dyes by resetting the parameters for some heterocyclic atoms. The calcula- ted results are in good agreement with the experimental spectra data and may be used to explain the influence of the thiodiazole heterocyclic constru- cture on colour.更多还原