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....

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Detalles Bibliográficos
Autores principales: Hansen, Thomas, Sun, Xiaobo, Dalla Tiezza, Marco, van Zeist, Willem‐Jan, Poater, Jordi, Hamlin, Trevor A., Bickelhaupt, F. M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2022
Materias:
Research Articles
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

Internet

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

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