Revealing the electron driven mechanism in metal catalyzed Kumada cross coupling reaction

Revealing the electron driven mechanism in metal catalyzed Kumada cross coupling reaction

Abstract The electron motion mechanism of the metal-catalyzed Kumada cross-coupling reaction, which synthesizes biphenyl from chlorobenzene and phenylmagnesium chloride (a Grignard reagent) using a palladium (Pd) complex with an auxiliary phosphine ligand, is elucidated. This analysis is grounded in...

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Bibliographic Details
Main Authors: Noriyuki Takai, Takuro Tsutsumi, Kenichiro Saita, Tetsuya Taketsugu, Takao Tsuneda
Format: Article
Language:English
Published: Nature Portfolio 2025-02-01
Series:Scientific Reports
Subjects:
Cross-coupling reaction
Metal complex reaction
Electronic theory
Grignard reagent
Density functional theory
Orbital energy
Online Access:https://doi.org/10.1038/s41598-025-88207-w
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https://doi.org/10.1038/s41598-025-88207-w

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