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Title
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Electronic structure of the positive radical of C-13-labeled poly(3-octylthienylene vinylene) polymer
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Author
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Abstract
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| Poly(3-octylthienylene vinylene) (O-PTV) has a great potential as low-bandgap p-type semiconductor for photovoltaic applications. Here, the positive radical state (positive polaron) is induced chemically in the O-PTV polymer in which the vinylene sites are selectively C-13-labeled. Using multi-frequency continuous wave and pulsed electron paramagnetic resonance, the g tensor and maximum H-1 and C-13 hyperfine couplings are determined. A comparative density functional theory (DFT) analysis of PTV-like oligomers is performed. The experimental parameters suggest a larger localization of the positive polaron than follows from the DFT analysis. The counter anion may play a crucial role in localizing the polaron. |
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Language
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English
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Source (journal)
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Applied magnetic resonance. - Stuttgart, 1990, currens
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Publication
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Stuttgart
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2014
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ISSN
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0937-9347
[print]
1613-7507
[online]
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DOI
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10.1007/S00723-014-0561-3
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Volume/pages
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45
:9
(2014)
, p. 827-839
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ISI
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000342413100004
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Full text (Publisher's DOI)
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