Role of Keto–Enol Tautomerization in the Copper-Catalyzed Hydrogenation of Ketones
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DOI: 10.1021/acscatal.9b00279
Abstract: Hydrogenation of alkoxy intermediates is often rate-limiting in the hydrogenation of carbonyl groups over copper catalysts. Using first-principles microkinetic simulations with coverage-dependent kinetic parameters, we find that an enol hydrogenation pathway, that is, not passing… read more here.
Keywords: keto enol; copper; tautomerization copper; role keto ... See more keywords