Reaction mechanism of the direct carboxylation of methanol to dimethylcarbonate: Experimental and theoretical studies

Michele Aresta, Angela Dibenedetto, Carlo Pastore, Imre Pápai, Gábor Schubert

Research output: Contribution to journalArticle

45 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)71-81
Number of pages11
JournalTopics in Catalysis
Volume40
Issue number1-4
DOIs
Publication statusPublished - Nov 1 2006

Keywords

  • Acid-plus-base activation of methanol
  • Double-base activation of methanol, methanol carboxylation
  • Organic carbonates
  • Reaction mechanism
  • Transition states

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)

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