화학공학소재연구정보센터
Chemical Physics Letters, Vol.644, 1-4, 2016
Superbases and superacids form supersalts
Supersalts, the compounds of superalkalis and superhalogens resemble traditional salts but possess some unique and interesting properties as well. Using MP216-311++G(d,p) method, we show that these supersalts can be thermodynamically realized as the product of acid-base reaction of hydrogenated superhalogens and superalkali hydroxides which behave as superacids and superbases, respectively. The charge transfer from superalkali to superhalogen in supersalts is larger than that from alkali to halogen in a traditional alkali halide. Unlike traditional salts, supersalts favor ionic dissociations, whose HOMOs are composed of electropositive moieties. This study should provide some new insights into formation and electronic properties of supersalts. (C) 2015 Elsevier B.V. All rights reserved.