Steps to demarcate the effects of chromophore aggregation and planarization in poly(phenyleneethynylene)s. 1. Rotationally interrupted conjugation in the excited states of 1,4-bis(phenylethynyl)benzene

M. Levitus, K. Schmieder, H. Ricks, K. D. Shimizu, U. H.F. Bunz, M. A. Garcia-Garibay

Research output: Contribution to journalArticle

313 Scopus citations


A series of photophysical measurements and semiempirical calculations were carried out with 1,4-bis(phenylethynyl)benzene in search of evidence on the effects of phenyl group rotation and chromophore aggregation of oligo- and poly(phenyleneethynylene)s. It is suggested that planarization gives rise to relatively modest shifts of ca. 20-30 nm, which preserve the vibronic structure of the monomer and retain a high emission quantum yield. In contrast, it is proposed that aggregation gives rise to larger shifts and loss of vibronic structure.

Original languageEnglish (US)
Pages (from-to)4259-4265
Number of pages7
JournalJournal of the American Chemical Society
Issue number18
StatePublished - Oct 8 2001
Externally publishedYes


ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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