The Calculation of Electronic Energy Bands of Prinstine and Doped Polytoluidines

In order to study the conduction mechanism of poly （o-, m-） toluidine （POT and PMT）, the electronic energy bands of the pristine and doped POT have been calculated. In the calculation, polymers are treated as quasi-one-dimensional systems. The method of EHMO-CO is used. The results of the energy bands are shown in Fig.3, and the net charge density of each models are shown in Tab.4. From these results, it is suggested that resonanced polaron for doped POT contribute mainly to its conductivity.