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...

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Detalles Bibliográficos
Autores principales: Stoppelman, John P., McDaniel, Jesse G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
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

Internet

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

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