Superhalogen and Superacid
Abstract
A superhalogen F@C20(CN)20 and a corresponding Brnsted 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 H[F@C20(CN)20] to be able to protonate molecular nitrogen. The stability of these structures is discussed, while some of the previous predictions concerning Brnsted superacids of record strength are doubted.
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