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Specific Features of the Decay Kinetics of an Excited Singlet State Into a Pair of Triplet Excitons In Rubrene Crystals

  • XXXIV Symposium on Modern Chemical Physics (September 2022, Tuapse)
  • Published:
Russian Journal of Physical Chemistry B Aims and scope Submit manuscript

Abstract

In this study, the specific features of the kinetics of singlet fission (SF)—i.e., spontaneous splitting of the excited singlet state into a pair of triplet (T) excitons (TT-pair)—in anisotropic molecular crystals are analyzed in detail. These features are known to be primarily determined by the TT-annihilation of the created TT-pairs (migrating in the crystals). In our analysis, the kinetics of annihilation-affected SF processes is described in the two-state model (TSM), in which the interaction of migrating T-excitons is associated with transitions between two kinetic states of TT-pairs: [TT]-state of coupled TT-pairs and [T+T]-state of freely migrating T-excitons. The TSM makes it possible to represent the effects of migration and interaction on SF-kinetics in terms of the lattice Green’s functions, for which the analytical formulas are obtained in this study. The TSM is applied to the analysis of SF-kinetics in the rubrene single crystals recently measured in a wide time range. The analysis provides detailed information on some characteristic kinetic properties of SF processes in anisotropic crystals. It is shown, for example, that the formation of the [TT]-state in the SF process results in some distortion of the shape of the SF kinetic dependence at short times (of the order of the primary-stage time of SF kinetics). Is also demonstrated that the anisotropy of T-exciton migration manifests itself in some characteristic features of SF kinetics at long times.

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Funding

This study was financially supported by the Ministry of Science and Higher Education of the Russian Federation as part of a state task (subject no. AAAA-A19-119012890064-7).

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Authors and Affiliations

  1. Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences, Moscow, Russia

    A. I. Shushin, S. Ya. Umanskii & Yu. A. Chaikina

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  1. A. I. Shushin
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  2. S. Ya. Umanskii
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  3. Yu. A. Chaikina
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Correspondence to A. I. Shushin.

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Shushin, A.I., Umanskii, S.Y. & Chaikina, Y.A. Specific Features of the Decay Kinetics of an Excited Singlet State Into a Pair of Triplet Excitons In Rubrene Crystals. Russ. J. Phys. Chem. B 17, 860–867 (2023). https://doi.org/10.1134/S1990793123040176

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