Photophysics of phenyl-substituted polyacetylenes, theory

Alok Shukla, Haranath Ghosh, Sumitendra Mazumdar

Research output: Contribution to journalArticle

32 Citations (Scopus)

Abstract

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
Volume116
Issue number1-3
DOIs
StatePublished - Jan 1 2001

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Polyacetylenes
Polyenes
polyacetylene
signatures
occurrences
electronic structure
photoluminescence
photons
Electron correlations
electrons
Chain length
Electronic structure
energy
Photoluminescence
Photons
poly(phenylacetylene)
biphenylacetylene

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Materials Chemistry
  • Polymers and Plastics

Cite this

Photophysics of phenyl-substituted polyacetylenes, theory. / Shukla, Alok; Ghosh, Haranath; Mazumdar, Sumitendra.

In: Synthetic Metals, Vol. 116, No. 1-3, 01.01.2001, p. 87-90.

Research output: Contribution to journalArticle

Shukla, Alok ; Ghosh, Haranath ; Mazumdar, Sumitendra. / Photophysics of phenyl-substituted polyacetylenes, theory. In: Synthetic Metals. 2001 ; Vol. 116, No. 1-3. pp. 87-90.
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