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Dynamic exciton localisation in a pyrene-BODIPY-pyrene dye conjugate

Please always quote using this URN: urn:nbn:de:bvb:20-opus-198718
  • The photophysics of a molecular triad consisting of a BODIPY dye and two pyrene chromophores attached in 2-position are investigated by steady state and fs-time resolved transient absorption spectroscopy as well as by field induced surface hopping (FISH) simulations. While the steady state measurements indicate moderate chromophore interactions within the triad, the time resolved measurements show upon pyrene excitation a delocalised excited state which localises onto the BODIPY chromophore with a time constant of 0.12 ps. This could either beThe photophysics of a molecular triad consisting of a BODIPY dye and two pyrene chromophores attached in 2-position are investigated by steady state and fs-time resolved transient absorption spectroscopy as well as by field induced surface hopping (FISH) simulations. While the steady state measurements indicate moderate chromophore interactions within the triad, the time resolved measurements show upon pyrene excitation a delocalised excited state which localises onto the BODIPY chromophore with a time constant of 0.12 ps. This could either be interpreted as an internal conversion process within the excitonically coupled chromophores or as an energy transfer from the pyrenes to the BODIPY dye. The analysis of FISH-trajectories reveals an oscillatory behaviour where the excitation hops between the pyrene units and the BODIPY dye several times until finally they become localised on the BODIPY chromophore within 100 fs. This is accompanied by an ultrafast nonradiative relaxation within the excitonic manifold mediated by the nonadiabatic coupling. Averaging over an ensemble of trajectories allowed us to simulate the electronic state population dynamics and determine the time constants for the nonradiative transitions that mediate the ultrafast energy transfer and exciton localisation on BODIPY.show moreshow less

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Metadaten
Author: Nina Auerhammer, Alexander Schulz, Alexander Schmiedel, Marco Holzapfel, Joscha Hoche, Merle I. S. Röhr, Roland MitricORCiD, Christoph LambertORCiD
URN:urn:nbn:de:bvb:20-opus-198718
Document Type:Preprint
Faculties:Fakultät für Chemie und Pharmazie / Institut für Physikalische und Theoretische Chemie
Language:English
Parent Title (English):Physical Chemistry Chemical Physics
Year of Completion:2019
Source:Physical Chemistry Chemical Physics, 2019,21, 9013-9025. https://doi.org/10.1039/C9CP00908F
URL:https://doi.org/10.1039/C9CP00908F
Dewey Decimal Classification:5 Naturwissenschaften und Mathematik / 54 Chemie / 541 Physikalische Chemie
Tag:Exciton localization dynamics
Release Date:2020/01/28
Note:
Accepted manuscript
Embargo Date:2020/03/22
EU-Project number / Contract (GA) number:646737
OpenAIRE:OpenAIRE
Licence (German):License LogoDeutsches Urheberrecht