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Gawron, Martin ; Gilch, Franziska ; Schmidhuber, Daniel ; Kelly, John A. ; Horsley Downie, Thomas M. ; Jacobi von Wangelin, Axel ; Rehbein, Julia ; Wolf, Robert

Counterion Effect in Cobaltate‐Catalyzed Alkene Hydrogenation

Article

Gawron, Martin , Gilch, Franziska , Schmidhuber, Daniel, Kelly, John A. , Horsley Downie, Thomas M. , Jacobi von Wangelin, Axel, Rehbein, Julia and Wolf, Robert (2023) Counterion Effect in Cobaltate‐Catalyzed Alkene Hydrogenation. Angewandte Chemie International Edition.

DOI to cite this document: 10.5283/epub.55300


Abstract

We show that countercations exert a remarkable influence on the ability of anionic cobaltate salts to catalyze challenging alkene hydrogenations. An evaluation of the catalytic properties of [Cat][Co(η4-cod)2] (Cat=K (1), Na (2), Li (3), (Depnacnac)Mg (4), and N(nBu)4 (5); cod=1,5-cyclooctadiene, Depnacnac={2,6-Et2C6H3NC(CH3)}2CH)]) demonstrated that the lithium salt 3 and magnesium salt 4 ...

We show that countercations exert a remarkable influence on the ability of anionic cobaltate salts to catalyze challenging alkene hydrogenations. An evaluation of the catalytic properties of [Cat][Co(η4-cod)2] (Cat=K (1), Na (2), Li (3), (Depnacnac)Mg (4), and N(nBu)4 (5); cod=1,5-cyclooctadiene, Depnacnac={2,6-Et2C6H3NC(CH3)}2CH)]) demonstrated that the lithium salt 3 and magnesium salt 4 drastically outperform the other catalysts. Complex 4 was the most active catalyst, which readily promotes the hydrogenation of highly congested alkenes under mild conditions. A plausible catalytic mechanism is proposed based on density functional theory (DFT) investigations. Furthermore, combined molecular dynamics (MD) simulation and DFT studies were used to examine the turnover-limiting migratory insertion step. The results of these studies suggest an active co-catalytic role of the counterion in the hydrogenation reaction through the coordination to cobalt hydride intermediates.



Involved Institutions


Details

Item typeArticle
Journal or Publication TitleAngewandte Chemie International Edition
PublisherWiley
Open Access TypeDEAL (Wiley)
Date7 December 2023
Date of publication09 Jan 2024 05:47
InstitutionsChemistry and Pharmacy > Institut für Anorganische Chemie
Chemistry and Pharmacy > Institut für Anorganische Chemie > Arbeitskreis Prof. Dr. Robert Wolf
Identification Number
ValueType
10.1002/anie.202315381DOI
KeywordsAlkenes · Cobalt · Homogenous Catalysis · Hydrogenation · Ion Pairing
Dewey Decimal Classification500 Science > 540 Chemistry & allied sciences
StatusPublished
RefereedYes, this version has been refereed
Created at the University of RegensburgPartially
URN of the UB Regensburgurn:nbn:de:bvb:355-epub-553004
Item ID55300

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