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N-Heterocyclic Carbene Formation in the Ionic Liquid [EMIM(+)][OAc(–)]: Elucidating Solvation Effects with Reactive Molecular Dynamics Simulations
[Image: see text] Recent experimental and theoretical work has debated whether N-heterocyclic carbenes (NHCs) are natively present in imidazolium-based ionic liquids (ILs) such as 1-ethyl-3-methylimidazolium acetate ([EMIM(+)][OAc(–)]) at room temperature. Because NHCs are powerful catalysts, determ...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10278139/ https://www.ncbi.nlm.nih.gov/pubmed/37279358 http://dx.doi.org/10.1021/acs.jpcb.3c02064 |