Extracting structural information from MEH-PPV optical spectra
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...
| Main Authors: | , , , |
|---|---|
| Format: | Journal article |
| Published: |
AIP Publishing
2018
|
| _version_ | 1797054556255813632 |
|---|---|
| author | Milward, J Marcus, M Köhler, A Barford, W |
| author_facet | Milward, J Marcus, M Köhler, A Barford, W |
| author_sort | Milward, J |
| collection | OXFORD |
| description | 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. |
| first_indexed | 2024-03-06T18:58:52Z |
| format | Journal article |
| id | oxford-uuid:12d5d245-3a7f-41b1-9f61-da1b86d9d2b0 |
| institution | University of Oxford |
| last_indexed | 2024-03-06T18:58:52Z |
| publishDate | 2018 |
| publisher | AIP Publishing |
| record_format | dspace |
| spelling | oxford-uuid:12d5d245-3a7f-41b1-9f61-da1b86d9d2b02022-03-26T10:10:11ZExtracting structural information from MEH-PPV optical spectraJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:12d5d245-3a7f-41b1-9f61-da1b86d9d2b0Symplectic Elements at OxfordAIP Publishing2018Milward, JMarcus, MKöhler, ABarford, WThe 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. |
| spellingShingle | Milward, J Marcus, M Köhler, A Barford, W Extracting structural information from MEH-PPV optical spectra |
| title | Extracting structural information from MEH-PPV optical spectra |
| title_full | Extracting structural information from MEH-PPV optical spectra |
| title_fullStr | Extracting structural information from MEH-PPV optical spectra |
| title_full_unstemmed | Extracting structural information from MEH-PPV optical spectra |
| title_short | Extracting structural information from MEH-PPV optical spectra |
| title_sort | extracting structural information from meh ppv optical spectra |
| work_keys_str_mv | AT milwardj extractingstructuralinformationfrommehppvopticalspectra AT marcusm extractingstructuralinformationfrommehppvopticalspectra AT kohlera extractingstructuralinformationfrommehppvopticalspectra AT barfordw extractingstructuralinformationfrommehppvopticalspectra |