Highly selective encapsulation and purification of U-based C 78 -EMFs within a supramolecular nanocapsule

The ability of the tetragonal prismatic nanocapsule 1·(BArF) to selectively encapsulate U-based C EMFs from a soot mixture is reported, showing enhanced affinity for C -based EMFs over C -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 -based EMFs compared to spherical C -based EMFs. In addition, DFT analysis points towards an enhanced breathing adaptability of nanocapsule 1·(BArF) to C -based EMFs to further explain the selectivity observed when the host is used in the solid phase.