New developments for the numerical analysis of spectrophotometric titrations

Abstract

Spectrophotometric titrations are a valuable tool for the investigation of solution equilibria. Data acquisition and recent developments on methods for the analysis of the measurements are discussed in this contribution. Hard-modeling methods are based on non-linear least-squares fitting, and algorithms have been developed which can cope with the large amount of data and parameters of multiwavelength or multivariate measurements. Good preliminary insight into the equilibria can be gained by soft-modeling methods. New firm-modeling methods are a compromise, combining advantages and disadvantages of the hard- and soft-modeling approaches.