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Dr. Nicolas Sieffert, Romain Réocreux, Patrizia Lorusso, Prof. Dr. David J. Cole-Hamilton and Prof. Dr. Michael Bühl On the Importance of Decarbonylation as a Side-Reaction in the Ruthenium-Catalysed Dehydrogenation of Alcohols: A Combined Experimental and Density Functional Study Chemistry - A European Journal 20

Article first published online: 5 MAR 2014 | DOI: 10.1002/chem.201303722

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Competitive decarbonylation! A combination of DFT calculations and isotopic labelling experiments has shed light on the mechanism of the decarbonylation reaction that occurs as an important side-reaction during the ruthenium-catalyzed production of hydrogen from alcohols by dehydrogenation (see scheme). It is shown that multiple reaction pathways operate and that decarbonylation is competitive with dehydrogenation, at least for simple primary alcohols.

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