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A weaker donor shows higher oxidation state upon aggregation.

Longfei MaHaili PengXiaofeng LuLei LiuXiangfeng Shao
Published in: RSC advances (2018)
The charge-transfer between TTFs and I 2 shows that the stronger donor TTF1 is in a cation radical state and the weaker donor TTF2 is neutral in solution, whereas TTF1 exists as a cation radical and TTF2 is dicationic in complexes. The dicationic and neutral states of TTF2 are reversible upon aggregation and solvation.
Keyphrases
  • ionic liquid
  • molecular dynamics
  • molecular dynamics simulations