STUDY OF SELF-DOPING CONDUCTIVE PROPERTIES OF DIFFERENT OXIDIZED STATES OF POLY-3-(2-ETHANE CARBOXYLATE) PYRROLE

Poly-3-(2-ethane carboxylate) pyrrole is a kind of water-soluble self- doping conductive polymer material. In this paper, its three geometric structures of reduced state, half-oxidized state and oxidized state, have been optimized by using the quantum chemistry MNDO program. The e nergy band structures and charge distribution of three systems have be en studied by means of EHMACC/CO program. The self-doping conductive p roperties ari explored in terms of the calculated results.