Journal
ACS CATALYSIS
Volume 8, Issue 6, Pages 5233-5239Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acscatal.8b00321
Keywords
iridium complexes; proton-responsive ligand; methanol production; transformation of paraformaldehyde; homogeneous catalysis
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Funding
- ENEOS Hydrogen Trust Fund
- U.S. Department of Energy, Office of Science, Division of Chemical Sciences, Geosciences & Biosciences, Office of Basic Energy Sciences [DE-SC0012704]
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An efficient catalytic system using a water-soluble iridium complex, Cp*IrL(OH2)(2+) (Cp* = pentamethylcyclopentadienyl, L = 2,2',6,6'-tetrahydroxy-4,4'-bipyrimidine), was developed for highly selective methanol production at room temperature (initial turnover frequency of 4120 h(-1)) with a very high yield (93%). This catalytic system features paraformaldehyde as the sole carbon and hydride source, leading to a record turnover number of 18200 at 25 degrees C. A step-by-step mechanism has been proposed for the catalytic conversion of paraformaldehyde to methanol on the basis of density functional theory (DFT) calculations. The proposed pathway holds the potential capacity to extend the scope of indirect routes for methanol production from CO2.
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