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A Non Expected Alternative Ni(0) Species in the Ni‐Catalytic Aldehyde and Alcohol Arylation Reactions Facilitated by a 1,5‐Diaza‐3,7‐diphosphacyclooctane Ligand.

Authors :
Heitkämper, Juliane
Posada‐Pérez, Sergio
Escayola, Sílvia
Solà, Miquel
Kästner, Johannes
Poater, Albert
Source :
Chemistry - A European Journal; May2023, Vol. 29 Issue 28, p1-8, 8p
Publication Year :
2023

Abstract

For decades there were many attempts to dispense with stoichiometric amounts of metal reagents for the synthesis of secondary alcohols. In 2021, the synthetic results of Newman and collaborators pioneered a synthesis still with metals, but not as reactants. Instead, they serverd as catalytic engines. Here we present a description by means of Density Functional Theory calculations of how this process can occur, and an attempt is made to shed light on the mechanism that facilitates the attainment of secondary alcohols, emphasizing the eternal cross‐coupling debate of whether the catalytically active species is Ni(0) or they are really taking shortcuts following the course of Ni(II). Effective Orbital analyses give a clear picture. Furthermore, this paper provides insight not only into the nature of the ligands of the metal catalyst but also the role of the base. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
09476539
Volume :
29
Issue :
28
Database :
Complementary Index
Journal :
Chemistry - A European Journal
Publication Type :
Academic Journal
Accession number :
163743900
Full Text :
https://doi.org/10.1002/chem.202300193