Fig. 7. Computed Gibbs free energy profiles at 25 °C for the conversion of CO2 to methoxyborane or sodium formate with 2 in air. The relative free energies (in kcal mol–1) obtained in solvent were calculated with respect to the energy of the separate reactants {aNHC (1) and 9-BBN}. *Formation of cyclooctane was confirmed by 1H NMR spectroscopy. #H2 gas evolution was confirmed by 1H NMR spectroscopy and visual observation (see the video file in the ESI†). For drawings of all compounds see Fig. S3.† .
