open access

https://hdl.handle.net/2115/86860

Nickel-Catalyzed Homocoupling of Aryl Ethers with Magnesium Anthracene Reductant

英語

DFT calculation

2021-09

Georg Thieme Verlag

Synthesis-stuttgart

53(18)

3397-3403

Nickel-catalyzed reductive homocoupling of aryl ethers has been achieved with Mg(anthracene)(thf)(3) as a readily available low-cost reductant. DFT calculations provided a rationale for the specific efficiency of the diorganomagnesium-type two-electron reducing agent. The calculations show that the dianionic anthracene-9,10-diyl ligand reduces the two aryl ether substrates, resulting in the homocoupling reaction through supply of electrons to the Ni-Mg bimetallic system to form organomagnesium nickel(0)-ate complexes, which cause two sequential C-O bond cleavage reactions. The calculations also showed cooperative actions of Lewis acidic magnesium atoms and electron-rich nickel atoms in the C-O cleavage reactions.

学術雑誌論文

Accepted Manuscript

This is an Accepted Manuscript of an article published by Thieme Publishing Group in Journal Title on Publication Date, available online at https://www.thieme-connect.de/products/ejournals/abstract/10.1055/a-1509-5954

0039-7881