Highly efficient and selective methanol production from paraformaldehyde and water at room temperature

Lin Wang, Mehmed Z. Ertem, Kazuhisa Murata, James Muckerman, Etsuko Fujita, Yuichiro Himeda

Research output: Contribution to journalArticle

4 Citations (Scopus)

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 languageEnglish
Pages (from-to)5233-5239
Number of pages7
JournalACS Catalysis
Volume8
Issue number6
DOIs
Publication statusPublished - Jun 1 2018

Fingerprint

Methanol
Water
Iridium
Hydrides
Temperature
Density functional theory
Carbon
paraform

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 journalArticle

Wang, Lin ; Ertem, Mehmed Z. ; Murata, Kazuhisa ; Muckerman, James ; Fujita, Etsuko ; Himeda, Yuichiro. / Highly efficient and selective methanol production from paraformaldehyde and water at room temperature. In: ACS Catalysis. 2018 ; Vol. 8, No. 6. pp. 5233-5239.
@article{0925f7547c0746fbbb3e071d7f0785a3,
title = "Highly efficient and selective methanol production from paraformaldehyde and water at room temperature",
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.",
author = "Lin Wang and Ertem, {Mehmed Z.} and Kazuhisa Murata and James Muckerman and Etsuko Fujita and Yuichiro Himeda",
year = "2018",
month = "6",
day = "1",
doi = "10.1021/acscatal.8b00321",
language = "English",
volume = "8",
pages = "5233--5239",
journal = "ACS Catalysis",
issn = "2155-5435",
publisher = "American Chemical Society",
number = "6",

}

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

UR - http://www.scopus.com/inward/citedby.url?scp=85046545848&partnerID=8YFLogxK

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 -