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Emitting Species of Poly(3-hexylthiophene): From Single, Isolated Chains to Bulk

Title data

Raithel, Dominic ; Baderschneider, Sebastian ; de Queiroz, Thiago B. ; Lohwasser, Ruth H. ; Köhler, Jürgen ; Thelakkat, Mukundan ; Kümmel, Stephan ; Hildner, Richard:
Emitting Species of Poly(3-hexylthiophene): From Single, Isolated Chains to Bulk.
In: Macromolecules. Vol. 49 (2016) Issue 24 . - pp. 9553-9560.
ISSN 0024-9297
DOI: https://doi.org/10.1021/acs.macromol.6b02077

Project information

Project financing: Bayerisches Staatsministerium für Wissenschaft, Forschung und Kunst
Deutsche Forschungsgemeinschaft

Abstract in another language

The photophysical properties of films of alkyl-substituted polythiophenes are governed by a subtle interplay between intra- and interchain electronic couplings. The intramolecular properties, however, are still not entirely clear because polythiophenes possess a strong tendency to form π-stacked aggregate structures with appreciable interchain couplings. Here we employ low-temperature single-molecule photoluminescence spectroscopy on isolated regioregular poly(3-hexyl- thiophene), P3HT, chains with different, but well-defined molecular weights to reveal the intrachain properties of their emitting sites. We find that the inhomogeneous distribution function of the zero-phonon lines (ZPL) is very narrow (\textless480 cm−1, 60 meV), which indicates a low degree of torsional disorder of the P3HT backbone on length scales of the emitting sites (despite a large mean dihedral angle). Moreover, the single- chain ZPLs are exclusively located in the high energy tail of the corresponding spectrum of a disordered ensemble. Using concentration-dependent measurements in combination with time- dependent density functional theory, we show that this spectral shift stems from aggregation-induced partial planarization and concomitant electronic coupling between segments of neighboring P3HT chains.

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Lehrstuhl Experimentalphysik IX - Spektroskopie weicher Materie
Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Lehrstuhl Experimentalphysik IX - Spektroskopie weicher Materie > Lehrstuhl Experimentalphysik IX - Spektroskopie weicher Materie - Univ.-Prof. Dr. Jürgen Köhler
Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Chair Theoretical Physics IV > Chair Theoretical Physics IV - Univ.-Prof. Dr. Stephan Kümmel
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Macromolecular Chemistry I
Profile Fields > Advanced Fields > Polymer and Colloid Science
Research Institutions > Research Centres > Bayreuth Institute of Macromolecular Research - BIMF
Graduate Schools > Bayreuth Graduate School of Mathematical and Natural Sciences (BayNAT) > Photophysics of Synthetic and Biological Multichromophoric Systems
Graduate Schools > Elite Network Bavaria > Macromolecular Science
Faculties
Faculties > Faculty of Mathematics, Physics und Computer Science
Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics
Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Chair Theoretical Physics IV
Faculties > Faculty of Biology, Chemistry and Earth Sciences
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry
Profile Fields
Profile Fields > Advanced Fields
Research Institutions
Research Institutions > Research Centres
Graduate Schools
Graduate Schools > Bayreuth Graduate School of Mathematical and Natural Sciences (BayNAT)
Graduate Schools > Elite Network Bavaria
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 530 Physics
Date Deposited: 01 Mar 2017 10:46
Last Modified: 01 Mar 2017 10:46
URI: https://eref.uni-bayreuth.de/id/eprint/36307