Electronic and optical properties of polyfluorene and fluorene-based copolymers: A quantum-chemical characterization

J. Cornil; I. Gueli; A. Dkhissi; J. C. Sancho-Garcia; E. Hennebicq; J. P. Calbert; V. Lemaur; D. Beljonne; J. L. Brédas

doi:10.1063/1.1561054

Electronic and optical properties of polyfluorene and fluorene-based copolymers: A quantum-chemical characterization

J. Cornil, I. Gueli, A. Dkhissi, J. C. Sancho-Garcia, E. Hennebicq, J. P. Calbert, V. Lemaur, D. Beljonne, J. L. Brédas^*

^*Corresponding author for this work

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

162 Scopus citations

Abstract

A detailed analysis of the electronic and optical properties of polyfluorene (F), polyfluorene ethylenedioxythiophene (FEDOT), and polyfluorene benzothiadiazole units (FBT) oligomers is discussed. It is shown that the strong localization of the LUMO level in FBT leads to pronounced changes in the shape of the excitons as well as in the efficiency of charge-transport and energy-transfer processes, in comparison to the properties obtained for polyfluorene chains. In contrast, the introduction of EDOT units in a polyfluorene backbone, while shifting the emission to the green as for FBT, keeps good energy and charge transfer properties.

Original language	English (US)
Pages (from-to)	6615-6623
Number of pages	9
Journal	JOURNAL OF CHEMICAL PHYSICS
Volume	118
Issue number	14
DOIs	https://doi.org/10.1063/1.1561054
State	Published - Apr 8 2003
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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title = "Electronic and optical properties of polyfluorene and fluorene-based copolymers: A quantum-chemical characterization",

abstract = "A detailed analysis of the electronic and optical properties of polyfluorene (F), polyfluorene ethylenedioxythiophene (FEDOT), and polyfluorene benzothiadiazole units (FBT) oligomers is discussed. It is shown that the strong localization of the LUMO level in FBT leads to pronounced changes in the shape of the excitons as well as in the efficiency of charge-transport and energy-transfer processes, in comparison to the properties obtained for polyfluorene chains. In contrast, the introduction of EDOT units in a polyfluorene backbone, while shifting the emission to the green as for FBT, keeps good energy and charge transfer properties.",

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T1 - Electronic and optical properties of polyfluorene and fluorene-based copolymers

T2 - A quantum-chemical characterization

AU - Cornil, J.

AU - Gueli, I.

AU - Dkhissi, A.

AU - Sancho-Garcia, J. C.

AU - Hennebicq, E.

AU - Calbert, J. P.

AU - Lemaur, V.

AU - Beljonne, D.

AU - Brédas, J. L.

PY - 2003/4/8

Y1 - 2003/4/8

N2 - A detailed analysis of the electronic and optical properties of polyfluorene (F), polyfluorene ethylenedioxythiophene (FEDOT), and polyfluorene benzothiadiazole units (FBT) oligomers is discussed. It is shown that the strong localization of the LUMO level in FBT leads to pronounced changes in the shape of the excitons as well as in the efficiency of charge-transport and energy-transfer processes, in comparison to the properties obtained for polyfluorene chains. In contrast, the introduction of EDOT units in a polyfluorene backbone, while shifting the emission to the green as for FBT, keeps good energy and charge transfer properties.

AB - A detailed analysis of the electronic and optical properties of polyfluorene (F), polyfluorene ethylenedioxythiophene (FEDOT), and polyfluorene benzothiadiazole units (FBT) oligomers is discussed. It is shown that the strong localization of the LUMO level in FBT leads to pronounced changes in the shape of the excitons as well as in the efficiency of charge-transport and energy-transfer processes, in comparison to the properties obtained for polyfluorene chains. In contrast, the introduction of EDOT units in a polyfluorene backbone, while shifting the emission to the green as for FBT, keeps good energy and charge transfer properties.

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DO - 10.1063/1.1561054

M3 - Article

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Electronic and optical properties of polyfluorene and fluorene-based copolymers: A quantum-chemical characterization

Abstract

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