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.
- Acid-plus-base activation of methanol
- Double-base activation of methanol, methanol carboxylation
- Organic carbonates
- Reaction mechanism
- Transition states
ASJC Scopus subject areas