1.
Nanoscale
; 11(47): 23035-23041, 2019 Dec 21.
Article
in English
| MEDLINE
| ID: mdl-31774082
ABSTRACT
The ability of the tetragonal prismatic nanocapsule 1·(BArF)8 to selectively encapsulate U-based C78 EMFs from a soot mixture is reported, showing enhanced affinity for C78-based EMFs over C80-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 C78-based EMFs compared to spherical C80-based EMFs. In addition, DFT analysis points towards an enhanced breathing adaptability of nanocapsule 1·(BArF)8 to C78-based EMFs to further explain the selectivity observed when the host is used in the solid phase.