Are noble gas molecules able to exhibit a superhalogen nature?

Celina Sikorska

Abstract

Superhalogens are a class of highly electronegative molecules whose electron affinities even exceed those of the halogen elements. Since such species can serve as new oxidizing agents, biocatalysts, and building blocks of unusual salts, they are important to the chemical industry. The ability of noble gas (Ng) atoms to form stable mononuclear (NgF7−) and dinuclear (Ng2F13−) superhalogen anions has been reported. Theoretical considerations supported by ab initio calculations revealed that Ng atoms (i.e. Kr, Xe, Rn) should form strongly bound anionic systems when combined with fluorine atoms (acting as ligands). Particularly, those anionic molecules exhibit larger vertical electron detachment energies (6.97–9.56 eV) than that of the chlorine atom (3.62 eV), confirming their superhalogen nature. We believe that the results provided in this contribution will not only provide evidence of a new type of superhalogen molecule but also stimulate more research interest and efforts in the amazing superatom realm.
Author Celina Sikorska PMM
Celina Sikorska,,
- Laboratory of Molecular Modeling
Journal seriesRSC Advances, ISSN 2046-2069
Issue year2016
Vol6
No105
Pages103418-103427
Publication size in sheets0.5
DOIDOI:10.1039/C6RA21933K
URL http://pubs.rsc.org/en/content/articlehtml/2016/ra/c6ra21933k
Languageen angielski
LicenseJournal (articles only); published final; Uznanie Autorstwa - Użycie Niekomercyjne (CC-BY-NC); with publication
Score (nominal)35
ScoreMinisterial score = 30.0, 20-12-2017, ArticleFromJournal
Ministerial score (2013-2016) = 35.0, 20-12-2017, ArticleFromJournal
Publication indicators WoS Impact Factor: 2016 = 3.108 (2) - 2016=3.257 (5)
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