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