The Molecular Origin of the 'Continuous' Infrared Absorption in Aqueous Solutions of Acids:A Computational Approach

摘要

The dissociation of weak acids in water is a process of fundamental importance in chemistry and biochemistry.The familiar reaction shown in [Eq.(1)] that describes the dissociation process of the weak acid HA has been the object of numerous experimental and theoretical investigations,which have focused on the chemical nature of the solvated reactants and products and stable or transient intermediate structures.