RT Journal Article
T1 A Computational-Experimental Approach to Unravel theExcited State Landscape in Heavy-Atom FreeBODIPY-Related Dyes
A1 Rebollar, Esther
A1 Bañuelos, Jorge
A1 Moya Cerero, Santiago de la
A1 Eng, Julien
A1 Penfold, Thomas
A1 Garcia-Moreno, Inmaculada
AB 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.
PB MDPI
SN 1420-3049
YR 2022
FD 2022
LK https://hdl.handle.net/20.500.14352/72221
UL https://hdl.handle.net/20.500.14352/72221
LA eng
NO Ministerio de Economía y Competitividad
NO Gobierno Vasco
DS Docta Complutense
RD 9 abr 2025