Inserting CO2 into Terminal Alkynes via Bis-(NHC)-Metal Complexes

Heriberto Díaz Velázquez, Zhao Xuan Wu, Matthias Vandichel, Francis Verpoort

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

Abstract: The direct interaction between CO2 and terminal alkynes in the presence of bis-(NHC)-metal catalysts at ambient conditions was studied. Two Cu and Ag-based bis-N-heterocyclic carbene Transition Metal catalysts were synthesized. The (NHC)2-Ag complex showed a better catalytic performance towards the carboxylation of terminal alkynes in comparison with the copper analogue even for the conversion of acetylene gas. The optimized conditions for the carboxylation are: the use of Cs2CO3 as additive, one atmosphere CO2 and room temperature using 1% mol catalyst. Mechanistic insight into the reaction mechanism is obtained by means of state-of-the-art first principles calculations. Graphical Abstract: [Figure not available: see fulltext.]

Original languageEnglish
Pages (from-to)1-9
Number of pages9
JournalCatalysis Letters
DOIs
Publication statusAccepted/In press - 16 Jan 2017

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Keywords

  • Carboxylation
  • DFT
  • Homogeneous catalysis
  • N-Heterocyclic carbene
  • Terminal alkyne

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)

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