Deoxygenation reactions are critical to the up-conversion of biomass derived molecules to chemical feedstocks and other value added products. In recent years we have developed a number of group 6 dioxo complexes that perform deoxygenation reactions to make alkenes and dienes.  Careful design of the ligand scaffold in concert with the metal dioxo fragment allows for the selection of reactions that are either net reductions of substrate or are redox neutral. We will discuss how the steric and electronic properties of the catalyst as well as the electronic properties of the substrate can select a single mechanism from a variety of reactivities. DFT studies were used to characterize critical transition states and probe the electronic structure of the complexes to rationalize the reactivities observed.

Deoxygenation of alcohols and polyols by group six metal dioxo complexes

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ACS Fall 2022

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