On the redox mechanism of methanol carbonylation on a dispersed ReO <sub> <i>x</i> </sub> /SiO <sub>2</sub> catalyst
Methanol carbonylation on –ORe(O) 3 sites is studied via DFT and NBO. Re( vii ) reduction is required for activation. While C–C coupling is facile, C–O activation is challenging on monopodal site, suggesting a different form of catalyst's structure.
Authors
- Neil D. Tran (ORCID: https://orcid.org/0000-0001-9033-1759)
- Alexander V. Mironenko (ORCID: https://orcid.org/0000-0001-7490-5038)
Institutions
- University of Illinois Urbana-Champaign (US)
Publication Details
- Journal
- Reaction Chemistry & Engineering
- Published
- 2024-12-18
- DOI
- https://doi.org/10.1039/d4re00496e
- Primary Topic
- Catalysis and Oxidation Reactions
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Science Foundation
- American Chemical Society Petroleum Research Fund