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Stable N,N'-Diarylated Dihydrodiazaacene Radical Cations.

Gaozhan XieN Maximilian BojanowskiVictor BrosiusThomas WiesnerFrank RomingerJan FreudenbergUwe H F Bunz
Published in: Chemistry (Weinheim an der Bergstrasse, Germany) (2020)
Three stable N,N'-diarylated dihydroazaacene radical cations were prepared by oxidation of neutral N,N'-diarylated dihydroazaacenes synthesized via palladium-catalyzed Buchwald-Hartwig aminations of aryl iodides with N,N'-dihydroazaacenes. Both neutral as well as oxidized species were investigated via UV-vis spectroscopy, single crystal analysis, and DFT calculations. All the radical cations are surprisingly stable-their absorption spectra in dichloromethane remain unchanged in ambient conditions for at least 24 hours.
Keyphrases
  • density functional theory
  • ionic liquid
  • air pollution
  • molecular dynamics
  • particulate matter
  • high resolution
  • molecular dynamics simulations
  • electron transfer