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Título: | A Computational-Experimental Approach to Unravel the Excited State Landscape in Heavy-Atom Free BODIPY-Related Dyes |
Autor: | Rebollar, Esther CSIC ORCID ; Bañuelos, Jorge; Moya, Santiago de la; Eng, Julien; Penfold, Thomas; Garcia-Moreno, I. CSIC ORCID | Palabras clave: | BODIPY dyes CC2 calculations Delayed fluorescence Laser spectroscopy Reverse intersystem crossing |
Fecha de publicación: | 22-jul-2022 | Editor: | Molecular Diversity Preservation International | Citación: | Molecules 27(15): 4683 (2022) | Resumen: | We performed a time-gated laser-spectroscopy study in a set of heavy-atom free single BODIPY fluorophores, supported by accurate, excited-state computational simulations of the key low-lying excited states in these chromophores. Despite the strong fluorescence of these emitters, we observed a significant fraction of time-delayed (microseconds scale) emission associated with processes that involved passage through the triplet manifold. The accuracy of the predictions of the energy arrangement and electronic nature of the low-lying singlet and triplet excited states meant that an unambiguous assignment of the main deactivation pathways, including thermally activated delayed fluorescence and/or room temperature phosphorescence, was possible. The observation of triplet state formation indicates a breakthrough in the "classic" interpretation of the photophysical properties of the renowned BODIPY and its derivatives. | Descripción: | 11 pags., 6 figs., 1 sch. -- This article belongs to the Special Issue The Chemistry of BODIPY Today | Versión del editor: | https://doi.org/10.3390/molecules27154683 | URI: | http://hdl.handle.net/10261/289003 | DOI: | 10.3390/molecules27154683 | E-ISSN: | 1420-3049 |
Aparece en las colecciones: | (IQF) Artículos |
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Fichero | Descripción | Tamaño | Formato | |
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BODIPY-Related Dyes.pdf | Artículo principal | 1,93 MB | Adobe PDF | Visualizar/Abrir |
molecules-27-04683-s001.zip | Supplementary information | 488,24 kB | zip | Visualizar/Abrir |
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