Singlet Fission in Lycopene H-Aggregates.

ABSTRACT: A theory of singlet fission (SF) in carotenoid dimers is applied to explain the SF in lycopene H-aggregates observed after high-energy photoexcitation. The explanation proposed here is that a high energy, delocalized bright ¹B_u⁺ state first relaxes and localizes onto a single lycopene monomer. The high-energy intramonomer state then undergoes internal conversion to the 1¹B_u^- state. Once populated, the 1¹B_u^- state allows exothermic bimolecular singlet fission, while its internal conversion to the 2¹A_g^- state is symmetry forbidden. The simulation of SF predicts that the intramonomer triplet-pair state under

SUBMITTER: Barford W 

PROVIDER: S-EPMC10641873 | biostudies-literature | 2023 Nov

REPOSITORIES: biostudies-literature