Density Functional Theory Study on Mechanism and Selectivity of Nickel-Catalyzed Hydroboration of Vinylarenes
Jingwei Wu, Yongzhu Zhou, Lei Zhang, Jie Zhang, Pei Song, Xiaoling Wang & Cuihong Wang · Organics · 2025
Density functional theory calculations were performed to elucidate the mechanistic details and origins of the selectivity of the nickel-catalyzed hydroboration of vinylarenes using B2pin2/MeOH. The catalytic cycles involved four sequential elementary steps: hydronickelation, anio...
Open access
Research Article
10.3390/org6030030