A purely pi -electron description via the Pariser-Parr-Pople (PPP) model is introduced, and standard molecular parameters are adopted in application to polydiacetylene (PDA). Transfer integrals are presented to describe the single, double, and triple bonds of the pi network. The result of PPP, theory appears to be that Coulomb coupling of pi and pi prime electrons in PDA results in two low-energy absorptions with comparable intensity, rather than a single absorption as in polyacetylene.
|Original language||English (US)|
|Title of host publication||Polymeric Materials Science and Engineering, Proceedings of the ACS Division of Polymeric Material|
|Number of pages||5|
|Publication status||Published - 1986|
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