Fig. 5: Gibbs free energy profile.

Reaction Gibbs free energy profile for meta-C–H alkenylation of nitrobenzene evaluated at DFT-B3LYP-D3/Def2-QZVPP/SMD level of theory.
Reaction Gibbs free energy profile for meta-C–H alkenylation of nitrobenzene evaluated at DFT-B3LYP-D3/Def2-QZVPP/SMD level of theory.