FORMATION OF HYDROGEN-BOND BETWEEN POLYAN ILINE AND WATER AND ITS INFLUENCE ON CONDUCTIVE PROPERTIES

Authors
PAN XM WANG RS SU ZM
Citation
Xm. Pan et al., FORMATION OF HYDROGEN-BOND BETWEEN POLYAN ILINE AND WATER AND ITS INFLUENCE ON CONDUCTIVE PROPERTIES, Huaxue xuebao, 54(10), 1996, pp. 961-965
Citations number
7
Categorie Soggetti
Chemistry
Journal title
Huaxue xuebao → ACNP
ISSN journal
05677351
Volume
54
Issue
10
Year of publication
1996
Pages
961 - 965
Database
ISI
SICI code
0567-7351(1996)54:10<961:FOHBPI>2.0.ZU;2-Z
Abstract
By using quantum chemistry SCF-LCAO-MO AM1 method, the structures of h ydrogen-bond system of polyaniline (PAn) and water are optimized. The energy bands of PAn. With different H-bond positions are calculated me ans of EHMO-CO method. The influences of the existence of water and fo rmation of H-bond on the electronic properties of PAn are revealed, wh ich indicates that conducting ability will rise after H-bond forming.