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Abstract
A structure-reactivity relationship is presented which predicts formation constants based solely on the structure of the organic ligand. This relationship has been evaluated using literature values of formation constants for Ni, Cd, Zn, and Fe. In most cases the root-mean-square deviation between observed and calculated log KML values is less than 0.8 log units.
The relationship includes an adjustable parameter for each type of donor group coordinated to the metal ion, and the contribution of each donor atom is assumed to be independent of the other ligating groups. A separate term is included to account for the added stability due to the formation of chelate rings.