Are noble gas molecules able to exhibit a superhalogen nature?

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.