The mechanism of acceptorless alcohol dehydrogenation with Milstein’s catalyst has yet to be determined. While there have been a number of computational results that have supported an outer-sphere mechanism over an inner-sphere one, no experimental evidence has been published supporting either mechanism. As presented herein, we utilized a combined computational and experimental approach to attempt to elucidate the mechanism of Milstein’s catalyst. We used new and previously synthesized complexes that we hypothesized to favor either mechanism. Herein, we report the synthesis, characterization, and preliminary dehydrogenation results of the aforementioned complexes.

Combined computational and experimental study on new PN and PNN ruthenium catalysts towards determining the mechanism of acceptorless dehydrogenation

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.