深色杂环偶氮染料的合成及PPP－MO理论在染料电子光谱研究中的应用

SYNTHESIS OF BATHOCHROMATIC AZO DYES AND APPLICATION OF PPP-MO THEORY TO CALCULATION OF ABSORPTION SPECTRA OF DYES S YNTHESIZED

合成了以４－氯与－醛基－２－氨基噻唑等为重氮组分，苯胺衍生物为偶合组分的二十一个杂环单偶氮染料，其中有十个品种吸收波长大于６３０ｎｍ，另外还有两个品种吸收波长大于７６０ｎｍ。用ＰＰＰ－ＭＯ理论对染料分子的电子光谱进行了计算。发现理论值与观测值之间存在着良好的线性关系。

Twenty one tmazoleazo dyes were synthesized and purified, some of them could absorb near infrared light.PPP-MO method was used to calculate λ_(max) of these dyes. Comparing calculated results with experimental data,a good linear relationship was found.