Fig. 7: Free energy profiles of carboxylation of C(sp2)−S bonds in disulfide with CO2.
From: Photo-induced carboxylation of C(sp2)−S bonds in aryl thiols and derivatives with CO2
Calculations were performed using Gaussian 16 at the M06/6-311 + G(d,p)/SMD(DMSO)//B3LYP/6-31 + G(d)/SMD(DMSO) level of theory. All energies are in kcal mol-1 and bond lengths are shown in angstroms (Å).
