Surface defect sites in reducible metal oxide materials have been long credited with the catalytic activity of these heterogeneous catalysts. Here, we present our efforts at modelling oxygen-atom vacancies at the surface of a redox-active vanadium oxide cluster. Reduction of the parent polyoxovanadate-alkoxide cluster results in formation of a surface-exposed reduced vanadium site via oxygen atom transfer from the vanadate assembly to a substrate. The reactivity of polyoxovanadate clusters bearing a single oxygen atom vacancy toward small molecule activation is discussed, summarizing recent efforts toward catalytic functionalization of chemical contaminants and energy-poor gaseous substrates.

Oxygen-atom vacancies in polyoxovanadate-alkoxide clusters

2019 Spring National Meeting

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