Chem. J. Chinese Universities ›› 1991, Vol. 12 ›› Issue (2): 256.

• Articles • Previous Articles     Next Articles

Studies on Electronic Energy Band and Doping Conducting Mechanism of PMT by Quantum Chemistry

Hou Yang, Fu Yu-jie, Wang Hui-zhong, Wang Rong-shun, Zhao Cheng-da   

  1. Department of Chemistry, Northeast Normal University, Changchun, 130024
  • Received:1989-02-04 Online:1991-02-24 Published:1991-02-24

Abstract: The electronic energy bands of poly-m-toluidine(PMT) and polyaniline(PAn) doped before and after with proton acid were calculated by EHMO-COmethod and the atomic charge distribution, valence bands and band gap were made a comparison between PMT and PAn. The effect of substituent has been discussed by quantum chemistry. The calculation results support the hypothesis of electric conducting mechanism of a polaron conduction band.

Key words: Polyaniline, Poly-m-toluidine, Doping of proton acid, Polaron

TrendMD: