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

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: Contribution to conference › Paper › peer-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→T_n, excitation energies in oligomers ranging in size from two to five phenylene rings. We then estimate the spatial extent of the S₁, T₁, and T_n 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 language	English (US)
Pages	1291-1295
Number of pages	5
State	Published - 1998
Externally published	Yes
Event	Proceedings of the 1998 56th Annual Technical Conference, ANTEC. Part 1 (of 3) - Atlanta, GA, USA Duration: Apr 26 1998 → Apr 30 1998

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Other	Proceedings of the 1998 56th Annual Technical Conference, ANTEC. Part 1 (of 3)
City	Atlanta, GA, USA
Period	04/26/98 → 04/30/98

ASJC Scopus subject areas

General Chemical Engineering
Polymers and Plastics

Cite this

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

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.",

author = "D. Beljonne and {dos Santos}, {D. A.} and Y. Cornil and Bredas, {J. L.}",

year = "1998",

language = "English (US)",

pages = "1291--1295",

note = "Proceedings of the 1998 56th Annual Technical Conference, ANTEC. Part 1 (of 3) ; Conference date: 26-04-1998 Through 30-04-1998",

}

TY - CONF

T1 - Theoretical investigation of the singlet and triplet excitations in cyano-substituted oligo(phenylene vinylene)s

AU - Beljonne, D.

AU - dos Santos, D. A.

AU - Cornil, Y.

AU - Bredas, J. L.

PY - 1998

Y1 - 1998

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=0031653193&partnerID=8YFLogxK

M3 - Paper

AN - SCOPUS:0031653193

SP - 1291

EP - 1295

T2 - Proceedings of the 1998 56th Annual Technical Conference, ANTEC. Part 1 (of 3)

Y2 - 26 April 1998 through 30 April 1998

ER -

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

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