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Journal of Chemical Physics / Volume 131 / Issue 3 / ARTICLES / Biological Molecules, Biopolymers, and Biological Systems

J. Chem. Phys. 131, 035104 (2009); http://dx.doi.org/10.1063/1.3177327 (5 pages)

Charge-transfer character of excitons in poly[2,7-(9,9-di-n-octylfluorene)(1−x)-co-4,7-(2,1,3-benzothiadiazole)(x)]

Jessica M. Winfield1, Antoine Van Vooren2, Moo-Jin Park3, Do-Hoon Hwang3, Jérôme Cornil2, Ji-Seon Kim4, and Richard H. Friend1

1Cavendish Laboratory, JJ Thomson Avenue, Cambridge CB3 0HE, United Kingdom
2Laboratory for Chemistry of Novel Materials, Centre for Research in Molecular Electronics and Photonics, University of Mons-Hainaut, Place du Parc 20, B-7000 Mons, Belgium
3Department of Applied Chemistry, Kumoh National Institute of Technology, Kumi 730-701, South Korea
4Blackett Laboratory, Imperial College London, Prince Consort Road, London SW7 2AZ, United Kingdom

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(Received 27 March 2009; accepted 24 June 2009; published online 20 July 2009)

Quantum-chemical calculations performed on poly[2,7-(9,9-di-n-octylfluorene)(1−x)-co-4,7-(2,1,3-benzothiadiazole)(x)] copolymers (0 ≤ x ≤ 0.5) show that the lowest unoccupied molecular orbital is always highly localized on the benzothiadiazole (BT) units while the highest occupied molecular orbital is delocalized over the whole chain. Chains with a low BT content are characterized by a reduced oscillator strength of the lowest optical transition and by an increased charge-transfer character of the exciton. These results are supported experimentally by a blueshift of the lowest energy absorption band upon reduction in the BT ratio, lower photoluminescence efficiency, longer excited state lifetimes, and greater solvent dependence of the emission properties.

© 2009 American Institute of Physics

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KEYWORDS and PACS

Keywords

charge exchange, excited states, excitons, oscillator strengths, photoluminescence, polymer blends, spectral line shift

PACS

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.3177327

PUBLICATION DATA

ISSN

0021-9606 (print)  
1089-7690 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

For access to fully linked references, you need to log in.
    M. -L. Tsai, C. -Y. Liu, M. -A. Hsu, and T. J. Chow, Appl. Phys. Lett. 82, 550 (2003)APPLAB000082000004000550000001.

    J. Cornil, I. Gueli, A. Dkhissi, J. C. Sancho-Garcia, E. Hennebicq, J. P. Calbert, V. Lemaur, D. Beljonne, and J. L. Brédas, J. Chem. Phys. 118, 6615 (2003)JCPSA6000118000014006615000001.

    J. P. Schmidtke, J. S. Kim, J. Gierschner, C. Silva, and R. H. Friend, Phys. Rev. Lett.99, 167401 (2007).


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