Superhalogen and Superacid
A superhalogen $\rm{F@C_{20}(CN)_{20}}$ and a corresponding Brønsted superacid were designed and investigated on DFT and DLPNO-CCSD(T) levels of theory. Calculated compounds have outstanding electron affinity and deprotonation energy, respectively. We consider superacid $\rm{H[F@C_{20}(CN)_{20}]}$ to be able to protonate molecular nitrogen. The stability of these structures is discussed, while some of the previous predictions concerning Brønsted superacids of record strength are doubted.
physics.chem-ph↗