Mapping‐Out Catalytic Processes in a Metal–Organic Framework with Single‐Crystal X‐ray Crystallography

Abstract

Single-crystal X-ray crystallography is employed to characterize the reaction species of a full catalytic carbonylation cycle within a Mn^II -based metal-organic framework (MOF) material. The structural insights explain why the Rh metalated MOF is catalytically competent toward the carbonylation of MeBr but only affords stoichiometric turn-over in the case of MeI. This work highlights the capability of MOFs to act as platform materials for studying single-site catalysis in heterogeneous systems.