Development of Functional Dye Materials for Electro-optical Applications

目前人们对开发用于光电应用的功能染料材料很感兴趣。这些染料包括用于激光光学记录系统和激光打印系统的红外吸收染料，用于非线性光学材料的染料发色团，用于任务主机液晶显示的二色性染料，用于电子导体的分子间电荷转移复合物染料，用于电照相的有机光导体，等等。染料传统上被用作聚合物基材（如纺织品和塑料）的着色剂，而在电子工业中，染料被用作有效吸收光的关键材料。通常使用的光源采用单波长光，如激光。为了达到这些目的，需要具有特殊特性的染料。为了开发新的特殊染料，必须能够将染料的特性与其结构联系起来。建立了开发功能性染料的新方法。它由两部分组成；由6000个染料发色团组成的染料数据库可以通过个人计算机访问，这使得查看建议的或成像的染料结构变得方便。在使用数据库选择染料发色团后，基于PPP MO计算方法进行染料设计。然后合成所提出的染料并评估其性能。利用该方法开发了新的光电功能染料。本项目的研究成果已发表21篇原创论文、7篇综述论文和7本专著，将为功能染料化学的发展做出贡献。

There is a current interest in the development of functional dye materials for electro-optical applications. These are the infrared absorbing dyes for laser optical recording systems and laser printing systems, dye chromophores for nonlinear optical materials, dichroic dyes for quest-host liquid crystal displays, intermolecular charge-transfer complex dyes for electronic conductors, organic photoconductors in electrophotography, and so on.Dyes have traditionally been used as coloring matters for polymer substrates such as textiles and plastics, whereas in the electronics industry dyes are used as key materials which absorb light effeciently. Light sources used normally employ single wavelength light, such as laser light. For these purposes dyes with special characteristics are required.To develop new special dyes it is essential to be able to correlate the characteristics of the dyes with their structures. We established the new methodology to develop functional dyes. It consists of two parts; the dye database, which consists of 6,000 dye chromophores, is accessed by using a personal computer, which makes in convenient to look at proposed or imaged dye structures. After the selection of dye chromophores by using the database, the design of dyes is based on the PPP MO calculation method. The proposed dye is then synthesized and its properties evaluated. New functional dyes for electrooptical applications were developed by using this methodology. Results obtained from this project were reported by 21 original papers, 7 review papers and 7 books, and would be contributed to the development of functional dye chemistry.