Publication
Title
Electronic structure of the positive radical of C-13-labeled poly(3-octylthienylene vinylene) polymer
Author
Abstract
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.
Language
English
Source (journal)
Applied magnetic resonance. - Stuttgart
Publication
Stuttgart : 2014
ISSN
0937-9347
Volume/pages
45:9(2014), p. 827-839
ISI
000342413100004
Full text (Publisher's DOI)
UAntwerpen
Faculty/Department
Research group
[E?say:metaLocaldata.cgzprojectinf]
Multimar: Multidisciplinary magnetic resonance.
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 06.11.2014
Last edited 16.11.2017
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