Superhalogen and Superacid
Andrey V. Kulsha, Dmitry I. Sharapa
TL;DR
This paper designs and investigates a superhalogen and a superacid using advanced computational methods, revealing their exceptional electron affinity and deprotonation energy, and discusses their stability and potential to protonate molecular nitrogen.
Contribution
It introduces a novel superhalogen and superacid with outstanding properties, challenging previous predictions of record-strength superacids.
Findings
The superhalogen has outstanding electron affinity.
The superacid can protonate molecular nitrogen.
Some previous predictions of superacid strength are doubted.
Abstract
A superhalogen and a corresponding Br{\o}nsted 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 to be able to protonate molecular nitrogen. The stability of these structures is discussed, while some of the previous predictions concerning Br{\o}nsted superacids of record strength are doubted.
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