Spatial extent of the singlet and triplet excitons in cyano-substituted oligo(phenylene vinylene)s

D. A. Dos Santos; D. Beljonne; J. Cornil; J. L. Brédas

doi:10.1016/s0379-6779(97)80138-5

Spatial extent of the singlet and triplet excitons in cyano-substituted oligo(phenylene vinylene)s

D. A. Dos Santos^*, D. Beljonne, J. Cornil, J. L. Brédas

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

The 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-T_n, excitation energies in oligomers ranging in size from two to five phenylene rings. We then describe the lattice distortions taking place in the lowest excited states. Finally, we estimate the spatial extent of the S₁, T₁, and T_n excitons on the basis of a simple analysis of their wavefunctions. In each case, the results are compared to those obtained for the corresponding unsubstituted oligo(phenylene vinylene)s.

Original language	English (US)
Pages (from-to)	1025-1026
Number of pages	2
Journal	Synthetic Metals
Volume	85
Issue number	1-3
DOIs	https://doi.org/10.1016/s0379-6779(97)80138-5
State	Published - Mar 15 1997
Externally published	Yes

Keywords

Poly(phenylene vinylene) and derivatives
Semi-empirical models and model calculations

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

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10.1016/s0379-6779(97)80138-5

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title = "Spatial extent of the singlet and triplet excitons in cyano-substituted oligo(phenylene vinylene)s",

abstract = "The 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 describe the lattice distortions taking place in the lowest excited states. Finally, we estimate the spatial extent of the S1, T1, and Tn excitons on the basis of a simple analysis of their wavefunctions. In each case, the results are compared to those obtained for the corresponding unsubstituted oligo(phenylene vinylene)s.",

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author = "{Dos Santos}, {D. A.} and D. Beljonne and J. Cornil and Br{\'e}das, {J. L.}",

year = "1997",

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T1 - Spatial extent of the singlet and triplet excitons in cyano-substituted oligo(phenylene vinylene)s

AU - Dos Santos, D. A.

AU - Beljonne, D.

AU - Cornil, J.

AU - Brédas, J. L.

PY - 1997/3/15

Y1 - 1997/3/15

N2 - The 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 describe the lattice distortions taking place in the lowest excited states. Finally, we estimate the spatial extent of the S1, T1, and Tn excitons on the basis of a simple analysis of their wavefunctions. In each case, the results are compared to those obtained for the corresponding unsubstituted oligo(phenylene vinylene)s.

AB - The 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 describe the lattice distortions taking place in the lowest excited states. Finally, we estimate the spatial extent of the S1, T1, and Tn excitons on the basis of a simple analysis of their wavefunctions. In each case, the results are compared to those obtained for the corresponding unsubstituted oligo(phenylene vinylene)s.

KW - Poly(phenylene vinylene) and derivatives

KW - Semi-empirical models and model calculations

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DO - 10.1016/s0379-6779(97)80138-5

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ER -

Spatial extent of the singlet and triplet excitons in cyano-substituted oligo(phenylene vinylene)s

Abstract

Keywords

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