Photophysics of phenyl-substituted polyacetylenes, theory

Alok Shukla, Haranath Ghosh, Sumit Mazumdar

Research output: Contribution to journalArticlepeer-review

32 Scopus citations


We present a theoretical study of the electronic structures of poly-phenylacetylene (PPA) and poly-diphenylacetylene (PDPA). Strong photoluminescence (PL) in PDPA's is a consequence of the occurrence of the 2Ag two-photon state above the optical 1Bu, in spite of the polyene backbone. This reversed energy ordering (as compared to linear polyenes and trans-polyacetylene, t-PA) is a signature of reduced effective electron correlations in PPA and PDPA. The optical gaps of the substituted materials are smaller than polyenes of the same chain length.

Original languageEnglish (US)
Pages (from-to)87-90
Number of pages4
JournalSynthetic Metals
Issue number1-3
StatePublished - Jan 1 2001

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry


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