Molecular Design for Developing High Mobility Organic Materials

本课题研究的目的是为开发电子照相有机感光体领域日益增长的高迁移率有机材料寻找分子设计的指导原则，基于一系列分子分散在聚合物树脂中的芳胺衍生物的漂移迁移率测量，提出了发展高迁移率有机化合物的指导原则，引入了“空穴单元”这一新的亚分子概念。其在具有空间宽分布的电子系统的分子内容易被氧化。在本研究中得到的结论是，以下是重要的分子设计。(1)多功能性，即，在分子内包含多于一个这样的空穴单元以获得与相邻分子更有效的相互作用。(2)作为共振结构的结果，空穴态在分子内的等效子分子单元之间的分子内迁移率。(3)根据上述原理合成的化合物N，N，N ′，N ′-四（3-甲基苯基）-1，3-二氨基苯在70wt%负载的分子分散体中表现出约10 μ cm 2/Vsec的优异的空穴漂移迁移率<-4>，这是迄今为止报道的化合物中最好的三种之一。

The purpose of this project research is to find the guiding principles of molecular design for developing high mobility organic materials which are increasingly required in the field of the organic photoreceptors of electrophotography.Based on the drift mobility measurements in a series of arylamine derivatives molecularly dispersed in a polymer resin, the guiding principles for developing high mobility organic compounds have been proposed introducing a new concept of submolecule named as "hole unit" which is easily oxidized within a molecule having spatially wide spread of -electron system. The conclusion obtained in the present research is that the followings are important for the molecular design.(1) poly-functionality, i.e., to contain more than one such hole unit within a molecule to attain more effective interactions with neighboring molecules.(2) intra-molecular mobility of the hole state among the equivalent sub-molecular units within a molecule as a result of resonance structure.(3) avoidance of specific deep structural traps derived from dimer alignment with neighboring molecules.A compound, N,N,N'N'-tetrakis(3-methylphenyl)-1,3-diaminobenezene synthesized according to the above principle exhibits the excellent hole drift mobility of-10^<-4> cm^2/Vsec in a molecular dispersion of 70 wt% loading, which is one of the best three among the compounds reported so far.