New paper!

In ChemPhysChemAs a fruitful collaboration with the Kirchner group, we looked into the aggregation of triarylamine radical cation photocatalysts with arene substrates in super-oxidation reactions by molecular dynamics simulations.

The pi-stacking interactions were overwhelmingly preferred and the assemblies were found to stick together for >60 ps, plenty of time for their photoexcitation and photochemistry to occur 'inner sphere'! The assemblies were longer-lived in MeCN and DCM compared to DMF, explaining the solvent dependency of these reactions.

Congrats to the team!

\(^(I)^)/