Rebollar, EstherBañuelos, JorgeMoya Cerero, Santiago de laEng, JulienPenfold, ThomasGarcia-Moreno, Inmaculada2023-06-222023-06-2220221420-304910.3390/molecules27154683https://hdl.handle.net/20.500.14352/72221We 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.engAtribución 3.0 Españahttps://creativecommons.org/licenses/by/3.0/es/journal articlehttps://doi.org/10.3390/molecules27154683open access547BODIPY dyesdelayed fluorescencereverse intersystem crossingCC2 calculationslaser spectroscopyQuímica orgánica (Química)2306 Química Orgánica