[Scientific Journal Cover] Regioselective Oxidation of C–H Bonds in Unactivated Alkanes by a Vanadium Superoxo Catalyst Bound to a Supramolecular Host

Scientific Journal Cover

A recent study reports that a vanadyl ion bound to a cucurbituril (CB) host can oxidize pentane to 2-pentanol in the presence of an oxidizer. DFT calculations indicate that the catalyst selectively targets the stronger C–H bonds in pentane over the weaker ones in cyclohexane due to the size exclusion by the CB host. The active catalyst is an unprecedented vanadium superoxo species, and the selectivity for secondary over primary C–H bonds is due to a higher degree of charge transfer from the secondary positions.-Scientific Journal cover by scapiens

https://pubs.acs.org/doi/10.1021/acs.inorgchem.9b02803

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