Theoretical studies on the optical absorption in MEH-DSB oligomer

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We report theoretical studies on the optical absorption in 2-methoxy-5-(2′-ethyl-hexyloxy)-distyrl benzene (MEH-DSB). We first produce the major absorption features existing in experimental results, in particular a weak band at 5.1 eV, which has not been observed in poly(p-phenylene vinylene) (PPV). We find that this band can appear only when the strength of intersite Coulomb interactions becomes smaller, in comparison with that in five-ring PPV oligomer with no substituents. Detailed analysis of wavefunctions related to the corresponding absorption bands will give correct assignments.

Original languageEnglish
Pages (from-to)89-93
Number of pages5
JournalChemical Physics Letters
Issue number1-2
Publication statusPublished - 2002 Mar 25

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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