@article{7b8aff6e616149d487e1339007c5cfbb,
title = "Balancing fluorescence and singlet oxygen formation in push-pull type near-infrared BODIPY photosensitizers",
abstract = "Boron dipyrromethene dyes are highly attractive for image-guided photodynamic therapy. Nevertheless, their clinical breakthrough as theranostic agents is still obstructed by several limitations. Here, we report a series of strongly absorbing, heavy-atom-free, distyryl-BODIPY donor-acceptor dyads operating within the phototherapeutic window. Whereas diphenylamine and carbazole donors lead to strong fluorescence, dimethylacridine, phenoxazine, and phenothiazine units afford a decent fluorescence combined with the efficient formation of singlet oxygen. Dedicated photophysical analysis and quantum-chemical calculations are performed to elucidate the excited state dynamics responsible for the pronounced differences within the BODIPY series. Femtosecond transient absorption spectra reveal the nature of the excited state processes and the involvement of charge-transfer states in triplet formation.",
author = "Jasper Deckers and Tom Cardeynaels and Sandra Doria and Nikolay Tumanov and Andrea Lapini and Anitha Ethirajan and Marcel Ameloot and Johan Wouters and {Di Donato}, Mariangela and Beno{\^i}t Champagne and Wouter Maes",
note = "Funding Information: The authors thank Hasselt University and the University of Namur for continuing financial support (PhD scholarships JD and TC). BC and WM thank the Research Foundation - Flanders (FWO) for support through projects G087718N, G0D1521N, I006320N, GOH3816NAUHL, and the Scientific Research Community {\textquoteleft}Supramolecular Chemistry and Materials{\textquoteright} (W000620N). The calculations were performed on the computers of the {\textquoteleft}Consortium des {\'e}quipements de Calcul Intensif (C{\'E}CI){\textquoteright} (https://www.ceci-hpc.be), including those of the {\textquoteleft}UNamur Technological Platform of High-Performance Computing (PTCI){\textquoteright} (https://www.ptci.unamur.be), for which we gratefully acknowledge financial support from the FNRS-FRFC, the Walloon Region, and the University of Namur (Conventions no. 2.5020.11, GEQ U.G006.15, U.G018.19, 1610468, and RW/GEQ2016). SD, AL, and MDD acknowledge support from the European Union's Horizon 2020 research and innovation program under grant agreement no. 871124 Laserlab-Europe. Funding Information: The authors thank Hasselt University and the University of Namur for continuing financial support (PhD scholarships JD and TC). BC and WM thank the Research Foundation – Flanders (FWO) for support through projects G087718N, G0D1521N, I006320N, GOH3816NAUHL, and the Scientific Research Community {\textquoteleft}Supramolecular Chemistry and Materials{\textquoteright} (W000620N). The calculations were performed on the computers of the {\textquoteleft}Consortium des {\'e}quipements de Calcul Intensif (C{\'E}CI){\textquoteright} ( https://www.ceci-hpc.be ), including those of the {\textquoteleft}UNamur Technological Platform of High-Performance Computing (PTCI){\textquoteright} ( https://www.ptci.unamur.be ), for which we gratefully acknowledge financial support from the FNRS-FRFC, the Walloon Region, and the University of Namur (Conventions no. 2.5020.11, GEQ U.G006.15, U.G018.19, 1610468, and RW/GEQ2016). SD, AL, and MDD acknowledge support from the European Union's Horizon 2020 research and innovation program under grant agreement no. 871124 Laserlab-Europe. Publisher Copyright: {\textcopyright} 2022 The Royal Society of Chemistry",
year = "2022",
month = jun,
day = "6",
doi = "10.1039/d2tc01526a",
language = "English",
volume = "10",
pages = "9344--9355",
journal = "Journal of Materials Chemistry C",
issn = "2050-7534",
publisher = "Royal Society of Chemistry",
number = "24",
}