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Design of the Smallest Intramolecular Singlet Fission Chromophore with the Fastest Singlet Fission.

Ekadashi PradhanTao Zeng
Published in: The journal of physical chemistry letters (2022)
We designed an intramolecular singlet fission (iSF) chromophore, pyrazino[2,3- g ]quinoxaline-1,4,6,9-tetraoxide. Appropriate substitutions into anthracene enhance the tetraradical character, so that the molecule accommodates a pair of triplet excitons in its lowest singlet excited state. Our simulation showed a 16 fs fast iSF of the design, which is a new record. The design also sets a new record of small size iSF chromophore and high exciton density. The design can be synthesized by oxidizing the tertiary N centers of the existent pyrazino[2,3- g ]quinoxaline.
Keyphrases
  • energy transfer
  • quantum dots