Electronic structures of polyv(vinylene sulphide) and its flourinated and methylated derivatives

Two possible structures of poly(vinylene sulphide) (PVS), together with the flourinated and methylated derivatives of this polymer, are examined theoretically using the one-dimensional tight-binding SCF-CO (self consistent field-crystal orbital) method. It is found that the trans, trans-skeleton is...

Full description

Saved in:
Bibliographic Details
Published in:Synthetic metals 1985, Vol.11 (4), p.221-229
Main Authors: Tanaka, Kazuyoshi, Koike, Tsuneaki, Yamabe, Tokio
Format: Article
Language:English
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Two possible structures of poly(vinylene sulphide) (PVS), together with the flourinated and methylated derivatives of this polymer, are examined theoretically using the one-dimensional tight-binding SCF-CO (self consistent field-crystal orbital) method. It is found that the trans, trans-skeleton is more stable than the cis, trans-skeleton in unsubstituted PVS. The band structuress of these polymers are examined in connection with the clarification of their properties as organic conductive materials.
ISSN:0379-6779
1879-3290
DOI:10.1016/0379-6779(85)90019-0