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On the Borate-Catalyzed Electrochemical Reduction of Phosphine Oxide: A Computational Study
Robert Edler von Zander1, Peter Saalfrank1
1Universität Potsdam, Institut für Chemie, Karl-Liebknecht-Str. 24-25, Potsdam, Golm D-14476, Germany.
Abstract:
Recently, Nocera and co-workers (J. Am. Chem. Soc. 2018, 140, 13711) demonstrated that triaryl borate Lewis acids facilitate the direct electrochemical reduction of triphenylphosphine oxide (TPPO) to triphenylphosphine (TPP). In the present contribution, we report a quantum chemical study unravelling details of the reaction, which also supports the proposed ECEC mechanism. Alternative electrochemical routes to TPPO reduction facilitated by other Lewis acids (CH3+), or by photocatalysis at semiconductor surfaces, are also briefly discussed.
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