A Pd(II) → Pd(0) → Pd(II) Catalytic Cycle Enables the Generation of Bis(o‑carborane)s: Confirmed by Reproduced Yields and Ratios, Regioselectivities, Additive and Substituent Effects

The palladium-catalyzed generation of bis­(o-carborane)­s via regioselective B–B coupling was explored by using density functional theory (DFT). It is found that the reaction proceeds through sequential regioselective B4–H activation, B4′–H/B5′–H activation, and reductive elimination, yielding bis­(...

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Bibliographic Details
Published in:Inorganic chemistry 2025-06, Vol.64 (23), p.11462-11475
Main Authors: Mu, Wei-Hua, Zhu, Lin, Yu, Jia-Wei, Zhao, Xue, Duan, Liangfei, Cao, Ke, Liu, Guo
Format: Article
Language:English
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