Novel Li3X3 supersalts (X = F, Cl, Br & I) and their alkalide characteristics

Abstract

We have theoretically predicted the formation of novel species by the interaction of LiX₂ superhalogens with Li₂X superalkalies for X = F, Cl, Br and I. The resulting Li₃X₃ supersalts are found to be more stable than the traditional LiX salts. The chemical reactivity of Li₃X₃ is discussed with the help of various electronic parameters and it is shown that they may possess alkalide characteristics. The present report will pave a way for experimentalists to design such novel species with pronounced properties.