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Extracting structural information from MEH-PPV optical spectra

Title data

Milward, Jonathan D. ; Marcus, Max ; Köhler, Anna ; Barford, William:
Extracting structural information from MEH-PPV optical spectra.
In: The Journal of Chemical Physics. Vol. 149 (2018) . - No. 044903.
ISSN 0021-9606
DOI: https://doi.org/10.1063/1.5041938

Abstract in another language

The Frenkel-Holstein model in the Born-Oppenheimer regime is used to interpret temperature-dependent photoluminescence spectra of solutions made with the poly(p-phenylene vinylene) derivative MEH-PPV. Using our recently developed structural optimization method and assuming only intrachain electronic coupling, we predict the structure of emissive MEH-PPV chromophores in terms of a mean torsional angle ϕ0 and its static fluctuations σϕ, assuming no cis-trans defects. This allows us to fully account for the observed changes in spectra, and the chromophore structures obtained are consistent with the known phase transition at 180 K between a “red” and “blue” phase.

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
Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Lehrstuhl Experimentalphysik II - Optoelektronik weicher Materie
Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Lehrstuhl Experimentalphysik II - Optoelektronik weicher Materie > Lehrstuhl Experimentalphysik II - Optoelektronik weicher Materie - Univ.-Prof. Dr. Anna Köhler
Faculties
Faculties > Faculty of Mathematics, Physics und Computer Science
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 530 Physics
Date Deposited: 01 Aug 2018 07:10
Last Modified: 01 Aug 2018 07:10
URI: https://eref.uni-bayreuth.de/id/eprint/45265