Palladium-Catalyzed Meta-Selective C-H Bond Activation with a Nitrile-Containing Template: Computational Study on Mechanism and Origins of Selectivity.

Density functional theory investigations have elucidated the mechanism and origins of meta-regioselectivity of Pd(II)-catalyzed C-H olefinations of toluene derivatives that employ a nitrile-containing template. The reaction proceeds through four major steps: C-H activation, alkene insertion, β-hydri...

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Publicado en:	Journal of the American Chemical Society Vol. 136; no. 1; pp. 344 - 356
Autores principales:	Yun-Fang Yang, Gui-Juan Cheng, Peng Liu, Dasheng Leow, Tian-Yu Sun, Ping Chen, Xinhao Zhang, Jin-Quan Yu, Yun-Dong Wu, Houk, K. N.
Formato:	Artículo
Publicado:	American Chemical Society 1/8/2014
Materias:	Palladium catalysts Activation (Chemistry) Carbon-hydrogen bonds Nitriles Catalyst selectivity Density functional theory Regioselectivity (Chemistry) Toluene
Acceso en línea:	Ver este registro en EBSCOhost