Acta Chimica Sinica ›› 1996, Vol. 54 ›› Issue (10): 961-965. Previous Articles     Next Articles

Original Articles

水分子与聚苯胺间氢键的形成对电子性质的影响

潘秀梅;王荣顺;苏忠民   

  1. 东北师范大学化学系
  • 发布日期:1996-10-15

Formation of hydrogen bond between polyaniline and water and its influence on conductive properties

PAN XIUMEI;WANG RONGSHUN;SU ZHONGMIN   

  • Published:1996-10-15

By using quantum chemistry SCF-LCAO-MO AM1 method, the structures of hydrogen-bond system of polyaniline (PAn) and water are optimized. The energy bands of PAn. With different H-bond positions are calculated means of EHMO-CO method. The influences of the existence of water and formation of H-bond on the electronic properties of PAn are revealed, which indicates that conducting ability will rise after H-bond forming.

Key words: HYDROGEN BONDS, POLYANILINE, AM1 METHOD

CLC Number: