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Halide Abstraction Competes with Oxidative Addition in the Reactions of Aryl Halides with [Ni(PMe(n)Ph((3−n)))(4)]

Density functional theory (DFT) calculations have been used to study the oxidative addition of aryl halides to complexes of the type [Ni(PMe(n)Ph((3−n)))(4)], revealing the crucial role of an open‐shell singlet transition state for halide abstraction. The formation of Ni(I) versus Ni(II) has been ra...

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Detalles Bibliográficos
Autores principales:	Funes‐Ardoiz, Ignacio, Nelson, David J., Maseras, Feliu
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	John Wiley and Sons Inc. 2017
Materias:	Communications
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5725734/ https://www.ncbi.nlm.nih.gov/pubmed/29053182 http://dx.doi.org/10.1002/chem.201702331

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