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C(sp (n))−X (n=1–3) Bond Activation by Palladium
We have studied the palladium‐mediated activation of C(sp (n))−X bonds (n = 1–3 and X = H, CH(3), Cl) in archetypal model substrates H(3)C−CH(2)−X, H(2)C=CH−X and HC≡C−X by catalysts PdL(n) with L(n) = no ligand, Cl(−), and (PH(3))(2), using relativistic density functional theory at ZORA‐BLYP/TZ2P....
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9306469/ https://www.ncbi.nlm.nih.gov/pubmed/34958486 http://dx.doi.org/10.1002/chem.202103953 |