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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.
Michael Graetzel, Shaik Mohammed Zakeeruddin, Felix Thomas Eickemeyer, Dan Ren, Lukas Pfeifer, Zhongjin Shen
Edoardo Charbon, Claudio Bruschini, Arin Can Ülkü, Ivan Michel Antolovic
Léonard Yannick Maurice Eymann