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The effect of hydrogen-fluorine defects on the conformational energy of polytrifluoroethylene chains

 

作者: R.R. Kolda,   J.B. Lando,  

 

期刊: Journal of Macromolecular Science, Part B  (Taylor Available online 1975)
卷期: Volume 11, issue 1  

页码: 21-39

 

ISSN:0022-2348

 

年代: 1975

 

DOI:10.1080/00222347508217853

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

Conformational energy calculations were employed to determine the effect of hydrogen-fluorine defects on the conformation of the polytrifluoroethylene chain. It was determined that the 31helix was energetically favored for all but the highly syndiotactic polymers, which favored the all-trans conformation. The incorporation of head-to-head linkages into the polymer chain increased the Conformational energy of the 31helix while the Conformational energy of the all-trans form decreased. The energies of these two conformations did not equalize until the head-to-head concentration reached 20 to 30%, depending on the tacticity of the polymer. The trans, gauche, trans, gauche' conformation was also determined to be energetically favorable for the syndiotactic polymer, but both tacticity defects and head-to-head linkages caused a rapid increase in the Conformational energy. This was, therefore, concluded to be unlikely structure when chemical defects are incorporated into the polymer chain.

 

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