有机光导材料的光敏性与结构关系的研究

Study on the relations between photoconductive and structure of OPC

用半经验ＭＮＤＯ方法对方酸类１５种有机光导材料（ＯＰＣ）进行了量子化学计算，得到了它们分子的最优构型、偶极距μ、生成焓△Ｈ、基态分子轨道ＨＯＭＯ能量等结构信息；讨论了它们的光敏性与 ＨＯＭＯ能级、分子平面性和旋转势的关系．

15 kinds of Squaraines of OPC were calculated by the methods of MNDO,and their optimun configuration, μ,△H,energies of HOMO,etc. were also obtained. The relations between Photoconductive and structure were investegated,such as the energies of HOMO,the plane of moleculers,the potential of rotation.