Abstract
In a previous theoretical study the electronic band gaps and band widths of trans perfluoropolyacetylene (CF)//x and trans (CH)//x were calculated. In this study, the results of similar calculations on other halogen-substituted polyacetylenes are presented. In order to assess the dependence of conductivity on chain planarity, calculations have been carried out as a function of the rotational angle about the C-C single bonds in the chain backbone. These calculations provide information on the preferred conformations of the chains. 13 refs.
Original language | English (US) |
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Pages (from-to) | 268-269 |
Number of pages | 2 |
Journal | American Chemical Society, Polymer Preprints, Division of Polymer Chemistry |
Volume | 25 |
Issue number | 2 |
State | Published - Aug 1984 |
Externally published | Yes |
All Science Journal Classification (ASJC) codes
- Polymers and Plastics