Ionization of clusters. III. Evaluation of interaction parameters from binding data.

Interactions between ionizable groups on the same molecule modulate the binding of protons to an extent where the binding constants may be shifted by orders of magnitude. The first two papers of this series discussed the family of carboxylic acids, pairwise isotropic interactions, and evaluation of single site binding data. This paper presents an extended group of hypothetical binding isotherms. Procedures are illustrated for deriving interaction parameters from binding data. The interaction parameters for about 25 representative compounds with two and three interacting ionizable groups are evaluated and tabulated.