Abstract
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 °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.
| Original language | English |
|---|---|
| Pages (from-to) | 5233-5239 |
| Number of pages | 7 |
| Journal | ACS Catalysis |
| Volume | 8 |
| Issue number | 6 |
| DOIs | |
| Publication status | Published - Jun 1 2018 |
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ASJC Scopus subject areas
- Catalysis
Cite this
Highly efficient and selective methanol production from paraformaldehyde and water at room temperature. / Wang, Lin; Ertem, Mehmed Z.; Murata, Kazuhisa; Muckerman, James; Fujita, Etsuko; Himeda, Yuichiro.
In: ACS Catalysis, Vol. 8, No. 6, 01.06.2018, p. 5233-5239.Research output: Contribution to journal › Article
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TY - JOUR
T1 - Highly efficient and selective methanol production from paraformaldehyde and water at room temperature
AU - Wang, Lin
AU - Ertem, Mehmed Z.
AU - Murata, Kazuhisa
AU - Muckerman, James
AU - Fujita, Etsuko
AU - Himeda, Yuichiro
PY - 2018/6/1
Y1 - 2018/6/1
N2 - 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 °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.
AB - 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 °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.
UR - http://www.scopus.com/inward/record.url?scp=85046545848&partnerID=8YFLogxK
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U2 - 10.1021/acscatal.8b00321
DO - 10.1021/acscatal.8b00321
M3 - Article
AN - SCOPUS:85046545848
VL - 8
SP - 5233
EP - 5239
JO - ACS Catalysis
JF - ACS Catalysis
SN - 2155-5435
IS - 6
ER -