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Rational Design of a Facially Coordinating P,N,N Ligand for Manganese‐Catalysed Enantioselective Hydrogenation of Cyclic Ketones

DFT calculations on the full catalytic cycle for manganese catalysed enantioselective hydrogenation of a selection of ketones have been carried out at the PBE0‐D3(PCM)//RI‐BP86(PCM) level. Mn complexes of an enantiomerically pure chiral P,N,N ligand have been found to be most reactive when adopting...

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Detalles Bibliográficos
Autores principales:	Oates, Conor L., Goodfellow, Alister S., Bühl, Michael, Clarke, Matthew L.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	John Wiley and Sons Inc. 2022
Materias:	Communications
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10107995/ https://www.ncbi.nlm.nih.gov/pubmed/36341982 http://dx.doi.org/10.1002/anie.202212479

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