A lanthanide MOF with nanostructured node disorder

The synthesis and structural characterization of a new metal organic framework, UoB-100(Dy), is reported. Average structure refinements indicate that the node is disordered between two orientations of the nonanuculear secondary building unit (SBU). By performing 3D diffuse scattering (DS) analysis and Monte Carlo (MC) simulations, we confirm the presence of strong correlations between the metal clusters of UoB-100(Dy). These nodes assemble into a complex and novel nanodomain structure. Quantum mechanical calculations identify linker strain as the driving force behind the nanodomain structure. The implications of such a nanodomain structure for the magnetic, gas storage, and mechanical properties of lanthanide MOFs are discussed.