Cyano-substituted polyparaphenylene vinylene: description of the nature of the lowest singlet and triplet excited states

J. P. Cornil; Donizetti A. Dos Santos; David Beljonne; Jean-Luc Bredas

doi:10.1117/12.279348

1 December 1997 Cyano-substituted polyparaphenylene vinylene: description of the nature of the lowest singlet and triplet excited states

J. P. Cornil, Donizetti A. Dos Santos, David Beljonne, Jean-Luc Bredas

Author Affiliations +

Proceedings Volume 3148, Organic Light-Emitting Materials and Devices; (1997) https://doi.org/10.1117/12.279348
Event: Optical Science, Engineering and Instrumentation '97, 1997, San Diego, CA, United States

Abstract

The lowest singlet and triplet excited states in cyano- substituted phenylene vinylene oligomers are characterized by means of configuration interaction calculations. First, the vertical singlet-singlet, S₀ yields S₁, singlet- triplet, S₀ yields T₁, and triplet-triplet T₁ yields T_n, excitation energies are evaluated in oligomers ranging in size from two to five phenylene rings; the spatial extent of the S₁, T₁, and T_n excited states is estimated on the basis of a simple analysis of their wavefunctions. We then pay attention to the lattice distortions taking place in the lowest singlet and triplet excited states of these model oligomers. In each case, the results are compared to those obtained for the corresponding unsubstituted oligo(phenylene vinylene)s. Besides the bathochromic shift associated with the electroactive character of the substituents, an overall localization of the excited state wavefunction is found when going from unsubstituted to cyano-substituted oligomers.

Citation Download Citation

J. P. Cornil, Donizetti A. Dos Santos, David Beljonne, and Jean-Luc Bredas "Cyano-substituted polyparaphenylene vinylene: description of the nature of the lowest singlet and triplet excited states", Proc. SPIE 3148, Organic Light-Emitting Materials and Devices, (1 December 1997); https://doi.org/10.1117/12.279348

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