Singlet fission in core-linked terrylenediimide dimers

Xingang Zhao, Youn Jue Bae, Michelle Chen, Samantha M. Harvey, Chenjian Lin, Jiawang Zhou, Richard D. Schaller, Ryan M. Young, Michael R. Wasielewski

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We have studied two regioisomeric terrylenediimide (TDI) dimers in which the 1-positions of two TDIs are linked via 1,3- or 1,4-phenylene spacers, mTDI2 and pTDI, respectively. The nature and the dynamics of the multiexciton state are tuned by altering the through-bond electronic couplings in the ground and excited states and by changing the solvent environment. Our results show that controlling the electronic coupling between the two chromophores by an appropriate choice of linker can result in independent triplet state formation, even though the initial correlated triplet pair state is confined to a dimer. Moreover, even in polar solvents, if the electronic coupling is strong, the correlated triplet pair state is observed prior to symmetry-breaking charge separation. These results point out the close relationship between the singlet, correlated triplet pair, and charge transfer states in molecular dimers.

Original languageEnglish
Article number244306
JournalJournal of Chemical Physics
Issue number24
Publication statusPublished - Dec 28 2020

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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