Designing excited states: theory-guided access to efficient photosensitizers for photodynamic action
Angewandte Chemie - International Edition
11937 - 11941
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The in silico design of tetraradical S 1 states was validated experimentally through synthesis, followed by characterization including phosphorescence measurements, use of trap molecules, and cell culture studies, leading to a series of orthogonal dimers of Bodipy chromophores with remarkable singlet oxygen efficiencies (see picture). A new path for the rational development of efficient photosensitizers is thus revealed.