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Tuning the role of charge-transfer states in intramolecular singlet exciton fission through side-group engineering

Author

Listed:
  • Steven Lukman

    (Cavendish Laboratory, J. J. Thomson Avenue, University of Cambridge)

  • Kai Chen

    (MacDiarmid Institute for Advanced Materials and Nanotechnology, and School of Chemical and Physical Sciences, Victoria University of Wellington)

  • Justin M. Hodgkiss

    (MacDiarmid Institute for Advanced Materials and Nanotechnology, and School of Chemical and Physical Sciences, Victoria University of Wellington)

  • David H. P. Turban

    (Cavendish Laboratory, J. J. Thomson Avenue, University of Cambridge)

  • Nicholas D. M. Hine

    (University of Warwick)

  • Shaoqiang Dong

    (National University of Singapore)

  • Jishan Wu

    (National University of Singapore)

  • Neil C. Greenham

    (Cavendish Laboratory, J. J. Thomson Avenue, University of Cambridge)

  • Andrew J. Musser

    (Cavendish Laboratory, J. J. Thomson Avenue, University of Cambridge
    Present address: Department of Physics and Astronomy, University of Sheffield, Sheffield S3 7RH, UK)

Abstract

Understanding the mechanism of singlet exciton fission, in which a singlet exciton separates into a pair of triplet excitons, is crucial to the development of new chromophores for efficient fission-sensitized solar cells. The challenge of controlling molecular packing and energy levels in the solid state precludes clear determination of the singlet fission pathway. Here, we circumvent this difficulty by utilizing covalent dimers of pentacene with two types of side groups. We report rapid and efficient intramolecular singlet fission in both molecules, in one case via a virtual charge-transfer state and in the other via a distinct charge-transfer intermediate. The singlet fission pathway is governed by the energy gap between singlet and charge-transfer states, which change dynamically with molecular geometry but are primarily set by the side group. These results clearly establish the role of charge-transfer states in singlet fission and highlight the importance of solubilizing groups to optimize excited-state photophysics.

Suggested Citation

  • Steven Lukman & Kai Chen & Justin M. Hodgkiss & David H. P. Turban & Nicholas D. M. Hine & Shaoqiang Dong & Jishan Wu & Neil C. Greenham & Andrew J. Musser, 2016. "Tuning the role of charge-transfer states in intramolecular singlet exciton fission through side-group engineering," Nature Communications, Nature, vol. 7(1), pages 1-13, December.
    • Handle: RePEc:nat:natcom:v:7:y:2016:i:1:d:10.1038_ncomms13622
    DOI: 10.1038/ncomms13622
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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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