The Study of Ploy-para-phenyl and Different Substituent Polymer Conductive Property

The conductity of polymer is decided by Eg,and BW.which is concerned with its inside structure. The effects of heteroatom, side groups and the coupling of the electron orbitals around the Fermi energy level have a large effect on the Eg and BW of such system. In this thesis, with MOPAC and EHMO/CO method,we calculated the one-dimension electron energy band structure of PPP and differential substitutent PPP,and discussed the change of polymer structure. We analyze the influence of the differential kinds of substituent groups on Poly-para-phenyl conductive property.