Tutorial review. Approaches to predicting stability constants

Abstract

Historically, various methods have been used to predict stability constants. Simple extrapolations and linear-free-energy relationships are useful and rapid methods for these predictions provided that relevant data exist. Acid–base methods allow log K₁ values to be predicted for some metal–ligand interactions. Empirical methods allow the prediction of log K_n values, as well as predictions of stability constants for multidentate ligands, in systems for which equations have been derived. However, no single approach is applicable to every chemical system. This paper gives an overview of the methods available to predict stability constants, and demonstrates their use in selected environmental chemical systems.