Mechanism of CO2 reduction in carbonylation reaction promoted by ionic liquid additives: A computational and experimental study
| Autor: | Lin Ji, Kailun Bi, Wei-Lu Ding, Bao-Hua Xu, Li-Jun Han |
|---|---|
| Rok vydání: | 2023 |
| Předmět: |
Hydrogen
Renewable Energy Sustainability and the Environment chemistry.chemical_element 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Chloride 0104 chemical sciences Ion chemistry.chemical_compound chemistry Ionic liquid Polymer chemistry medicine Imidazole 0210 nano-technology Carbonylation Hydroformylation medicine.drug |
| Zdroj: | Green Energy & Environment. 8:296-307 |
| ISSN: | 2468-0257 |
| DOI: | 10.1016/j.gee.2021.04.008 |
| Popis: | The Ru-catalyzed carbonylation of alkenes with CO2 as a C1 surrogate and imidazole chlorides as the promotor is investigated by a combination of computational and experimental study. The conversion rate of CO2 to CO is positively correlated with the efficiency of both hydroesterification and hydroformylation, which is found facilitated in the presence of chloride additives with a decreasing order of BmimCl ∼ B3MimCl > BmmimCl ∼ LiCl. Taking the hydroesterification with MeOH as a representative example, BmimCl bearing C–H functionality at the C2 site of the cation assists the reduction of CO2 to CO as a hydrogen donor medium, with the anion and cation acting in a synergistic fashion. Subsequent insertion of CO2 into the formed Ru–H bond with the assistance of chloride anion produces the Ru–COOH species, which ultimately accelerates the activation of CO2. |
| Databáze: | OpenAIRE |
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