Research Papers in Physics and Astronomy


Date of this Version



Published in Polymer Engineering and Science 48 (2008), pp. 1649–1654; doi 10.1002/pen Copyright © 2008 Society of Plastics Engineers; published by John Wiley & Sons, Inc. Used by permission.


On the basis of a comparison of theoretical quantum calculations, by both semiempirical and ab initio methods, with photoemission and inverse photoemission results, we suggest that polymethylvinylidenecyanide (PMVC) adopts an all-trans conformation with few, if any, alternating trans-gauche carbon–carbon bond arrangements. The comparison of theory with the available photoemission and inverse photoemission excludes the presence of a significant fraction of gauche bonds in the polymer chains, indicative of the all-trans conformation, with dipoles all aligned.

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