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Spin density encodes intramolecular singlet exciton fission in pentacene dimers

Author

Listed:
  • K. C. Krishnapriya

    (Indian Institute of Science)

  • Palas Roy

    (Tata Institute of Fundamental Research
    Northwestern University)

  • Boregowda Puttaraju

    (Indian Institute of Science)

  • Ulrike Salzner

    (Bilkent University)

  • Andrew J. Musser

    (University of Sheffield)

  • Manish Jain

    (Indian Institute of Science)

  • Jyotishman Dasgupta

    (Tata Institute of Fundamental Research)

  • Satish Patil

    (Indian Institute of Science)

Abstract

The formation of two triplet excitons at the cost of one photon via singlet exciton fission in organic semiconductors can potentially enhance the photocurrent in photovoltaic devices. However, the role of spin density distribution in driving this photophysical process has been unclear until now. Here we present the significance of electronic spin density distribution in facilitating efficient intramolecular singlet exciton fission (iSEF) in π-bridged pentacene dimers. We synthetically modulate the spin density distribution in a series of pentacene dimers using phenyl-, thienyl- and selenyl- flanked diketopyrrolopyrrole (DPP) derivatives as π-bridges. Using femtosecond transient absorption spectroscopy, we find that efficient iSEF is only observed for the phenyl-derivative in ~2.4 ps while absent in the other two dimers. Electronic structure calculations reveal that phenyl-DPP bridge localizes α- and β-spin densities on distinct terminal pentacenes. Upon photoexcitation, a spin exchange mechanism enables iSEF from a singlet state which has an innate triplet pair character.

Suggested Citation

  • K. C. Krishnapriya & Palas Roy & Boregowda Puttaraju & Ulrike Salzner & Andrew J. Musser & Manish Jain & Jyotishman Dasgupta & Satish Patil, 2019. "Spin density encodes intramolecular singlet exciton fission in pentacene dimers," Nature Communications, Nature, vol. 10(1), pages 1-8, December.
    • Handle: RePEc:nat:natcom:v:10:y:2019:i:1:d:10.1038_s41467-018-07736-3
    DOI: 10.1038/s41467-018-07736-3
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    Cited by:

    1. Nilabja Maity & Woojae Kim & Naitik A. Panjwani & Arup Kundu & Kanad Majumder & Pranav Kasetty & Divji Mishra & Robert Bittl & Jayashree Nagesh & Jyotishman Dasgupta & Andrew J. Musser & Satish Patil, 2022. "Parallel triplet formation pathways in a singlet fission material," Nature Communications, Nature, vol. 13(1), pages 1-14, December.

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