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Extracting structural information from MEH-PPV optical spectra

Abstract:

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 acc...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1063/1.5041938

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Institution:
University of Oxford
Division:
Maths, Physical & Life Sciences
Department:
Chemistry; Physical & Theoretical Chemistry Laboratory
Role:
Author
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Institution:
University of Oxford
Oxford college:
Balliol College
Role:
Author
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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Oxford college:
Balliol College
Role:
Author
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Funding agency for:
Milward, J
Grant:
EP/L015722/1
More from this funder
Funding agency for:
Milward, J
Grant:
EP/L015722/1
Publisher:
AIP Publishing Publisher's website
Journal:
Journal of Chemical Physics Journal website
Volume:
149
Pages:
044903
Publication date:
2018-07-26
Acceptance date:
2018-07-11
DOI:
EISSN:
1089-7690
ISSN:
0021-9606
Source identifiers:
868298
Pubs id:
pubs:868298
UUID:
uuid:12d5d245-3a7f-41b1-9f61-da1b86d9d2b0
Local pid:
pubs:868298
Deposit date:
2018-07-13

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