Extremal acidity of Rees polycyanated hydrocarbons in the gas phase and DMSO - a density functional study

摘要

It is shown by using the density functional theory (DFT) calculations that Rees tricyclic[10]annulene 1 and its benzo-annelated derivative 2, substituted by CN groups at all peripheral sp~2 carbon positions, represent hyperstrong neutral superacids in the gas-phase and DMSO.