%0 Journal Article
%A Rebollar, Esther
%A Bañuelos, Jorge
%A Moya Cerero, Santiago de la
%A Eng, Julien
%A Penfold, Thomas
%A Garcia-Moreno, Inmaculada
%T A Computational-Experimental Approach to Unravel theExcited State Landscape in Heavy-Atom FreeBODIPY-Related Dyes
%D 2022
%@ 1420-3049
%U https://hdl.handle.net/20.500.14352/72221
%X 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.
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