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本文利用同系线性规律对菁染料的取代基效应进行了研究。提出菁染料的取代基效应与通常的取代基效应不同,在菁染料分子中取代基效应存在较大的交替现象;根据取代基团的内部结构及其所在位置的关系,推导出一套经验公式,并对菁染料的电子吸收光谱进行了定量计算。本文定量地预测了由苯并硫氮茂环、萘并琉氮茂环和苯并硒氮茂环等组成的菁染料及其衍生物(共一百多个化合物)的电子吸收光谱峰值,与实验值相比,峰值偏离在±5nm内的约占70％左右,在±5—±10nm的约占25％,大于±10nm的约占5％。
In this paper, the homologous linear rules of cyanine dye substituent effects were studied. It is proposed that the substituent effect of cyanine dyes is different from that of the usual substituents. Substituent effects of cyanine dyes have a large alternation effect. According to the relationship between the internal structure of substituents and their positions, an empirical formula , And quantitatively calculated the electron absorption spectrum of cyanine dye. In this paper, the peak of electron absorption spectra of cyanine dyes and their derivatives (including more than one hundred compounds) composed of benzothiazepine ring, naphthothiazidiazulene ring and benzo-selenocene ring were predicted quantitatively. Approximately 70% of peak deviations are within ± 5 nm, about 25% of ± 5 ± 10 nm, and about 5% of ± 10 nm, as compared to experimental values.