The formation of dimethylcarbonate (DMC) from MeOH and CO2 under [Nb(OMe)5]2 catalysis follows a different route (“acid-plus-base activation” of methanol) with respect to other known catalytic systems such as Sn(IV) and dicyclohexylcarbodiimide (DCC) that promote a “double-base activation”. The reaction intermediates and related transition states obtained from density functional (DFT) calculations are presented. Experimental data also feature a different reaction mechanism.
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Aresta, M., Dibenedetto, A., Pastore, C. et al. Reaction mechanism of the direct carboxylation of methanol to dimethylcarbonate: experimental and theoretical studies. Top Catal 40, 71–81 (2006). https://doi.org/10.1007/s11244-006-0109-3
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DOI: https://doi.org/10.1007/s11244-006-0109-3