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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2017
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| Materias: | |
| 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 |