MODIFIED PPP APPROACH TO POLYDIACETYLENE EXCITATIONS.

Z. G. Soos, S. Kuwajima, Sumitendra Mazumdar

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

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 languageEnglish (US)
Title of host publicationPolymeric Materials Science and Engineering, Proceedings of the ACS Division of Polymeric Material
PublisherACS
Pages497-501
Number of pages5
Volume54
ISBN (Print)0841209618
Publication statusPublished - 1986
Externally publishedYes

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ASJC Scopus subject areas

  • Engineering(all)

Cite this

Soos, Z. G., Kuwajima, S., & Mazumdar, S. (1986). MODIFIED PPP APPROACH TO POLYDIACETYLENE EXCITATIONS. In Polymeric Materials Science and Engineering, Proceedings of the ACS Division of Polymeric Material (Vol. 54, pp. 497-501). ACS.