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meso-Substituted boron-dipyrromethene (BODIPY) dyes are a puzzling class of molecules, which feature contrasting emissive behaviors. The full mechanistic picture for these distinctive properties is still missing. Using static and dynamic excited state computations we unravel the key reasons behind these divergences.
Hubert Girault, Pekka Eero Peljo, Evgeny Smirnov, Grégoire Clément Gschwend, Lucie Josette Renée Rivier, Elena Vladimirova