THEORETICAL STUDIES OF THE ELECTRONIC PROPERTIES OF HALOGENATED POLYACETYLENES.

Kenneth C. Metzger, William J. Welsh

Research output: Contribution to journalConference articlepeer-review

6 Scopus citations

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 languageEnglish (US)
Pages (from-to)268-269
Number of pages2
JournalAmerican Chemical Society, Polymer Preprints, Division of Polymer Chemistry
Volume25
Issue number2
StatePublished - Aug 1984
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Polymers and Plastics

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