Investigating the Mechanism of Ni-Catalyzed Coupling of Photoredox-Generated Alkyl Radicals and Aryl Bromides: A Computational Study

Investigating the Mechanism of Ni-Catalyzed Coupling of Photoredox-Generated Alkyl Radicals and Aryl Bromides: A Computational Study

Photoredox catalysis has emerged as an alternative to classical cross-coupling reactions, promoting new reactivities. Recently, the use of widely abundant alcohols and aryl bromides as coupling reagents was demonstrated to promote efficient coupling through the Ir/Ni dual photoredox catalytic cycle....

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Bibliographic Details
Main Authors: Nil Sanosa, Pedro Ruiz-Campos, Diego Ambrosi, Diego Sampedro, Ignacio Funes-Ardoiz
Format: Article
Language:English
Published: MDPI AG 2023-05-01
Series:International Journal of Molecular Sciences
Subjects:
cross-coupling
density functional theory
nickel catalysis
radicals
reaction mechanisms
Online Access:https://www.mdpi.com/1422-0067/24/11/9145

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