Theoretical investigation of the singlet and triplet excitations in cyano-substituted oligo(phenylene vinylene)s

D. Beljonne*, D. A. dos Santos, Y. Cornil, J. L. Bredas

*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

The lowest singlet and triplet excited states in cyano-substituted phenylene vinylene oligomers are characterized by means of configuration interaction calculations. We first evaluate the vertical singlet-singlet, S0→S1, singlet-triplet, S0→T1, and triplet-triplet, T1→Tn, excitation energies in oligomers ranging in size from two to five phenylene rings. We then estimate the spatial extent of the S1, T1, and Tn excited states on the basis of a simple analysis of their wavefunctions. The results are compared to those obtained for the corresponding unsubstituted oligo(phenylene vinylene)s.

Original languageEnglish (US)
Title of host publicationAnnual Technical Conference - ANTEC, Conference Proceedings
Editors Anon
PublisherSoc Plast Eng
Pages1291-1295
Number of pages5
Volume2
StatePublished - 1998
Externally publishedYes
EventProceedings of the 1998 56th Annual Technical Conference, ANTEC. Part 1 (of 3) - Atlanta, GA, USA
Duration: Apr 26 1998Apr 30 1998

Other

OtherProceedings of the 1998 56th Annual Technical Conference, ANTEC. Part 1 (of 3)
CityAtlanta, GA, USA
Period04/26/9804/30/98

ASJC Scopus subject areas

  • Engineering(all)

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