Theoretical insight into the mechanisms and regioselectivity for the borylation reactions of aryl 2-pyridyl ethers catalyzed by rhodium

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• 作者：Guo-Dong Liu^a ; Chong-Yang Du^a ; Xiao-Wen Zheng^a ; Feng-Yue Zhao^b ; Shao-Jing Liu^b ; Tao Liu^a ; ^{liutao_2005@126.com}
• 关键词：Density functional theory ; Regioselectivity ; Borylation reaction ; Rhodium
• 刊名：Journal of Organometallic Chemistry
• 出版年：2017
• 出版时间：15 February 2017
• 年：2017
• 卷：830
• 期：Complete
• 页码：175-180
• 全文大小：970 K
• 卷排序：830

文摘

The relative stability of TS2vsTS4 determines the regioselectivity. The weaker electron-rich IMesMe ligand reduces the electron density on Rh center. Regioselectivity is controlled by the electronic effects.