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菁染料是一类很有效的光谱增感染料,在摄影工程中应用甚广。已经查明:染料的增感性能与其电化学性质(包括还原电位E_R、氧化电位E_(OX)及电位差△E)有对应关系。因此,查明菁染料分子结构和电化学性质的关系,有助于新型增感染料的探索与合成。我们试用化学模式识别方法探索菁染料分子结构和电化学性能的关系。取73种菁染料分子(其电化学性质为已知)作为模式识別训练点集,考查菁染料的各种分子结构参数对菁染料按电化学性质分类的贡献。结果选定下列各结构参数张成
Cyanine dyes are a kind of very effective spectral sensitizing dyes, which are widely used in photographic engineering. It has been ascertained that the sensitizing properties of the dye have a corresponding relationship with the electrochemical properties (including the reduction potential E_R, the oxidation potential E_ (OX) and the potential difference ΔE). Therefore, to identify the relationship between the molecular structure and electrochemical properties of cyanine dyes, contribute to the exploration and synthesis of new sensitizing dyes. We try to use chemical pattern recognition method to explore the relationship between the molecular structure and electrochemical properties of cyanine dyes. Totally, 73 kinds of cyanine dye molecules, whose electrochemical properties are known, were selected as the training points for pattern recognition. The contribution of various molecular structural parameters of cyanine dyes to the classification of the cyanine dyes according to their electrochemical properties was investigated. The results selected the following structural parameters Zhang Cheng