Superhalogen and Superacid
Kulsha AV, Sharapa D (2019)
Publication Type: Journal article
Publication year: 2019
Journal
DOI: 10.1002/jcc.26007
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.
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Belarus (BY)How to cite
APA:
Kulsha, A.V., & Sharapa, D. (2019). Superhalogen and Superacid. Journal of Computational Chemistry. https://dx.doi.org/10.1002/jcc.26007
MLA:
Kulsha, Andrey V., and Dmitry Sharapa. "Superhalogen and Superacid." Journal of Computational Chemistry (2019).
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