Theoretical investigation on the mechanism of Ni 0 (acetylide carbanion)-ate complex-catalyzed C(sp 2 )–F bond activation and the origin of the counterion effect on reactivity

Organic Chemistry Frontiers 2026

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Authors: Xiao-Xia You, Ling‐Qi Meng, Xu Liu, Li-Li Wang, Xin-Cheng Xu, Rong‐Lin Zhong, Zhong‐Min Su
DOI: 10.1039/d5qo01757b
Cited by: 0
References: 46

Abstract

DFT calculations reveal that C(sp 2 )–F bond activation proceeds via an inner-sphere Ni 0 -mediated S N Ar pathway enabled by a Ni 0 (acetylide carbanion)-ate complex, where acetylide coordination enhances nucleophilicity at the Ni 0 center.

Fields of Study & Subjects

Fluorine in Organic Chemistry Organometallic Complex Synthesis and Catalysis Catalytic Cross-Coupling Reactions

Publication details

Journal / source
Organic Chemistry Frontiers
Volume
13
Issue
8
Pages
2341–2351
Publication date
1 January 2026
Language
EN