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Cover Feature: Mechanistic Study on Nickel‐Catalyzed Silylation of Aryl Methyl Ethers (Chem. Eur. J. 68/2017)
Author(s) -
Wang Bing,
Zhang Qi,
Jiang Julong,
Yu Haizhu,
Fu Yao
Publication year - 2017
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201704229
Subject(s) - silylation , chemistry , catalysis , aryl , density functional theory , nickel , transition metal , oxidative addition , ligand (biochemistry) , covalent bond , medicinal chemistry , computational chemistry , organic chemistry , alkyl , biochemistry , receptor
The mechanism of the Ni‐catalyzed silylation of aryl methyl ethers, especially the activation mode of the C−O bond, has been extensively investigated using density functional theory (DFT) methods. It was found that the silyl anion generated in situ and the cation K + promote the C−O oxidative addition co‐operatively. The former works as a ligand to Ni and the latter stabilizes the transition state via non‐covalent interactions. More information can be found in the Full Paper by H. Yu, Y. Fu et al. on page 17249.