Highly Selective Encapsulation And Purification Of U-Based C-78-Emfs Within A Supramolecular Nanocapsule

The ability of the tetragonal prismatic nanocapsule 1 center dot(BArF)(8) to selectively encapsulate U-based C-78 EMFs from a soot mixture is reported, showing enhanced affinity for C-78-based EMFs over C-80-based EMFs. Molecular recognition driven by the electrostatic interactions between the host and guest is at the basis of the high selectivity observed for ellipsoidal C-78-based EMFs compared to spherical C-80-based EMFs. In addition, DFT analysis points towards an enhanced breathing adaptability of nanocapsule 1 center dot(BArF)(8) to C-78-based EMFs to further explain the selectivity observed when the host is used in the solid phase.