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Superhalogen and Superacid.
- Source :
-
Journal of Computational Chemistry . 10/5/2019, Vol. 40 Issue 26, p2293-2300. 8p. - Publication Year :
- 2019
-
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]
- Subjects :
- *CHEMICAL stability
*ELECTRON affinity
*SUPERACIDS
*PROTON transfer reactions
Subjects
Details
- Language :
- English
- ISSN :
- 01928651
- Volume :
- 40
- Issue :
- 26
- Database :
- Academic Search Index
- Journal :
- Journal of Computational Chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 138088264
- Full Text :
- https://doi.org/10.1002/jcc.26007