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Influence of Equatorial CH⋅⋅⋅O Interactions on Secondary Kinetic Isotope Effects for Methyl Transfer

DFT calculations for methyl cation complexed within a constrained cage of water molecules permit the controlled manipulation of the “axial” donor/acceptor distance and the “equatorial” distance to hydrogen‐bond acceptors. The kinetic isotope effect k(CH(3))/k(CT(3)) for methyl transfer within a cage...

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Detalles Bibliográficos
Autores principales:	Wilson, Philippe B., Williams, Ian H.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	John Wiley and Sons Inc. 2016
Materias:	Communications
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4770435/ https://www.ncbi.nlm.nih.gov/pubmed/26823274 http://dx.doi.org/10.1002/anie.201511708

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