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

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

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Abstract

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
Volume123
Issue number18
DOIs
StatePublished - 2001
Externally publishedYes

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Chromophores
Benzene
Excited states
Agglomeration
Quantum yield
Monomers
phenyleneethynylene

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

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

In: Journal of the American Chemical Society, Vol. 123, No. 18, 2001, p. 4259-4265.

Research output: Contribution to journalArticle

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AU - Bunz, U. H F

AU - Garcia-Garibay, M. A.

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