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We characterize the structure of the solvation shell around the redox active part of the molecules and show that in the case of TEMPO-based molecules strong reorientation effects occur during the oxidation reaction.Acceptor-donor-acceptor triads consisting of diketopyrrolopyrrole (DPP) or pyrrolopyrrole aza-BODIPY (PPA or both as acceptors and cyclopentadithiophene as a donor were rationally designed for near infrared (NIR) photovoltaics application. Among them, the PPAB-based triad exhibited the highest power conversion efficiency of 3
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