Role of Alkaline-Earth Metal-Catalyst: A Theoretical Study of Pyridines Hydroboration

Density functional theory (DFT) calculations have been performed to investigate the mechanism of alkaline-earth-metal-catalyzed hydroboration of pyridines with borane. In this reaction, the active catalytic species is considered to be an alkaline earth metal hydride complex when the corresponding al...

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Bibliographic Details
Main Authors: Yuanyuan Li, Meijun Wu, Haohua Chen, Dongdong Xu, Lingbo Qu, Jing Zhang, Ruopeng Bai, Yu Lan
Format: Article
Language:English
Published: Frontiers Media S.A. 2019-03-01
Series:Frontiers in Chemistry
Subjects:
Online Access:https://www.frontiersin.org/article/10.3389/fchem.2019.00149/full