The existence and gas phase acidity of the HAlnF3n+1 superacids (n=1-4)

摘要

Novel strong superacids are proposed and investigated on the basis of ab initio calculations. The gas phase acidity of the HAlF4, HAl2F7, and HAl3F10 systems evaluated by the estimation of the Gibbs free energies of their deprotonation reactions were found significant and comparable to the corresponding value characterizing the HTaF6, whereas the strength of the HAl4F13 acid was predicted to exceed that of the HSbF6 acid (the strongest liquid superacid recognized). The deprotonation energies of the HAlnF3n+1 acids (n = 1-4) turned out to be closely related to the electronic stabilities of their corresponding (AlnF3n+1)(-) anions. (C) 2015 Elsevier B.V. All rights