1. Superhalogen and Superacid.
- Author
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Kulsha, Andrey V. and Sharapa, Dmitry I.
- Subjects
- *
CHEMICAL stability , *ELECTRON affinity , *SUPERACIDS , *PROTON transfer reactions - Abstract
A superhalogen F@C20(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 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 neutral Brønsted superacids of record strength are doubted. © 2019 Wiley Periodicals, Inc. [ABSTRACT FROM AUTHOR]
- Published
- 2019
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