As another option for the study of solutes, extensions of conceptual DFT for molecular solutions were recently introduced . Previously, conceptual DFT was successfully applied for explaining various empirical observations in terms of chemical reactions and molecular binding behavior . In particular, conceptual DFT introduces certain chemical reactivity descriptors that provide reliable estimates for the chemical hardnesses, electronegativities and reaction energies for the chemical species under consideration. Within this context, the formation of solvent-solute complexes is described by chemical reactions, such that charge transfer mechanisms in terms of directional solvation bonds between the species become important 29 . The corresponding approach was already successfully used for the study of donor numbers, specific ion effects and the identification of suitable solvent-solute combinations .