M. Aresta, A. Dibenedetto, C. Pastore
Nov 1, 2006
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0
Influential Citations
49
Citations
Journal
Topics in Catalysis
Abstract
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.