Exciton Trapping in π-Conjugated Materials: A Quantum-Chemistry-Based Protocol Applied to Perylene Bisimide Dye Aggregates
Access to excited-state structures and dynamics of π-chromophor aggregates is needed to understand their fluorescence behavior and the properties of related materials. A quantum-chemistry-based protocol that provides quantitative and qualitative insight into fluorescence spectra has been applied to...
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| Published in: | Journal of the American Chemical Society Vol. 130; no. 39; pp. 12858 - 12859 |
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| Main Authors: | , , , , , , , , , |
| Format: | Journal Article |
| Language: | English |
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United States
American Chemical Society
01-10-2008
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| Abstract | Access to excited-state structures and dynamics of π-chromophor aggregates is needed to understand their fluorescence behavior and the properties of related materials. A quantum-chemistry-based protocol that provides quantitative and qualitative insight into fluorescence spectra has been applied to perylene bisimide dimers and provides excellent agreement with measured fluorescence spectra. Both dispersion and dipol−dipole interactions determine the preferred relative arrangements of the chromophores in ground and excited states of the dimer. An exciton trappping mechanism is identified, which may limit the energy transfer properties of perylene bisimide and other dye materials. |
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| AbstractList | Access to excited-state structures and dynamics of π-chromophor aggregates is needed to understand their fluorescence behavior and the properties of related materials. A quantum-chemistry-based protocol that provides quantitative and qualitative insight into fluorescence spectra has been applied to perylene bisimide dimers and provides excellent agreement with measured fluorescence spectra. Both dispersion and dipol−dipole interactions determine the preferred relative arrangements of the chromophores in ground and excited states of the dimer. An exciton trappping mechanism is identified, which may limit the energy transfer properties of perylene bisimide and other dye materials. Access to excited-state structures and dynamics of pi-chromophor aggregates is needed to understand their fluorescence behavior and the properties of related materials. A quantum-chemistry-based protocol that provides quantitative and qualitative insight into fluorescence spectra has been applied to perylene bisimide dimers and provides excellent agreement with measured fluorescence spectra. Both dispersion and dipol-dipole interactions determine the preferred relative arrangements of the chromophores in ground and excited states of the dimer. An exciton trapping mechanism is identified, which may limit the energy transfer properties of perylene bisimide and other dye materials. |
| Author | Engel, Volker Renz, Manuel Lochbrunner, Stefan Fink, Reinhold F Seibt, Joachim Kaupp, Martin Würthner, Frank Pfister, Johannes Engels, Bernd Zhao, Hong-Mei |
| Author_xml | – sequence: 1 givenname: Reinhold F surname: Fink fullname: Fink, Reinhold F – sequence: 2 givenname: Joachim surname: Seibt fullname: Seibt, Joachim – sequence: 3 givenname: Volker surname: Engel fullname: Engel, Volker – sequence: 4 givenname: Manuel surname: Renz fullname: Renz, Manuel – sequence: 5 givenname: Martin surname: Kaupp fullname: Kaupp, Martin – sequence: 6 givenname: Stefan surname: Lochbrunner fullname: Lochbrunner, Stefan – sequence: 7 givenname: Hong-Mei surname: Zhao fullname: Zhao, Hong-Mei – sequence: 8 givenname: Johannes surname: Pfister fullname: Pfister, Johannes – sequence: 9 givenname: Frank surname: Würthner fullname: Würthner, Frank – sequence: 10 givenname: Bernd surname: Engels fullname: Engels, Bernd |
| BackLink | https://www.ncbi.nlm.nih.gov/pubmed/18767851$$D View this record in MEDLINE/PubMed |
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| Snippet | Access to excited-state structures and dynamics of π-chromophor aggregates is needed to understand their fluorescence behavior and the properties of related... Access to excited-state structures and dynamics of pi-chromophor aggregates is needed to understand their fluorescence behavior and the properties of related... |
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| SubjectTerms | Dimerization Fluorescent Dyes - chemistry Imides - chemistry Perylene - analogs & derivatives Perylene - chemistry Quantum Theory Spectrometry, Fluorescence Spectrophotometry, Ultraviolet Thermodynamics |
| Title | Exciton Trapping in π-Conjugated Materials: A Quantum-Chemistry-Based Protocol Applied to Perylene Bisimide Dye Aggregates |
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