Solvent-free hydrogenation of levulinic acid to γ-valerolactone using a Shvo catalyst precursor: optimization, thermodynamic insights, and life cycle assessment
| Autor: | Marie A. F. Delgove, Stefaan M. A. De Wildeman, Christian A. M. R. van Slagmaat, Katrien V. Bernaerts, Yvonne van der Meer, Lukas Morick, Jules Stouten |
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| Přispěvatelé: | RS: FSE Biobased Materials, Biobased Materials, Sciences, RS: FSE Sciences, RS: FSE AMIBM, AMIBM |
| Rok vydání: | 2020 |
| Předmět: |
COOPERATIVE TRANSITION-METAL
Hydrogen Shvo catalyst Formic acid Chemistry Multidisciplinary chemistry.chemical_element CHIRAL BRONSTED ACID Transfer hydrogenation BIOMASS Catalysis chemistry.chemical_compound Levulinic acid Environmental Chemistry Organic chemistry Green & Sustainable Science & Technology Science & Technology HYDROXYCYCLOPENTADIENYL RUTHENIUM HYDRIDE EFFICIENT HYDROGENATION IRON FORMIC ACIDS Isopropyl alcohol ENANTIOSELECTIVE HYDROGENATION Pollution Ruthenium Chemistry CONVERSION chemistry Physical Sciences Science & Technology - Other Topics X-RAY-STRUCTURE |
| Zdroj: | Green Chemistry, 22(8):Advance Article, 2443-2458. Royal Society of Chemistry |
| ISSN: | 1463-9270 1463-9262 |
| Popis: | The hydrogenation of levulinic acid (LA) to γ-valerolactone (GVL) using the η4-(2,3,4,5-tetraphenylcyclopentadienone) ruthenium tricarbonyl precursor of the well-known Shvo catalyst and H2 pressure was established under solvent-free conditions to achieve 100% conversion and 100% selectivity within 5 hours. Kinetic reaction curves were measured in order to deduce the optimal reaction conditions, which were further evaluated by means of density functional theory (DFT) calculations, and compared with catalytic concepts that consume formic acid or isopropyl alcohol as hydrogen donor. Ultimately, this alternative reaction procedure was subjected to a life cycle assessment (LCA) in comparison with the transfer hydrogenation methodologies, in order to verify its contribution towards a practice of environmentally benign chemistry. |
| Databáze: | OpenAIRE |
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