聚合物PPV、PDMPV自掺杂导电性研究  

Self-mixing Conductive Behaviour Research for Polymer PPV.PDMPV

作　　者：孙立波[1] 金莲[1] 白永平 

机构地区：[1]内蒙古通辽教育学院,内蒙古通辽028000 [2]哈尔滨工大化学系,黑龙江哈尔滨150000

出　　处：《内蒙古民族大学学报（自然科学版）》2000年第1期66-68,共3页Journal of Inner Mongolia Minzu University：Natural Sciences

摘　　要：本文在不考虑掺杂剂对聚合物导电性影响的情况下 ,用带有晶体轨道的EHMO量子化学计算程序对PPV及其衍生物PDMPV本征态、双极化子进行了理论计算 ,合理的解释了PDMPV由于侧链甲氧基团自身掺杂导致其特殊电性能这一实验事实。同时利用电离势 ,分子电荷图对两种聚合物导电性能的差异性作了讨论。EHMO quantum chemistry calculation program with the crystal orbit was used to calculate the eignstate of PPVand derivatives PDMPV and bipolaron thearically without considering the effect of mixer for polymer conductive behaviour.therefore the experiment fact that self-mixirg of OCH 3 result in special electricity property was explanated reasonally.

关 键 词：自身掺杂 EHMO 电离势 分子电荷图 

分 类 号：O631.23[理学—高分子化学]