Abstract
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.
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