Spectrophotometric titrations provide a powerful way to determine one or more binding constants of equilibrated systems, finding wide application in supramolecular chemistry, inorganic coordination chemistry, and biochemistry. Whether analyzing a single wavelength, or the superior technique of global analysis with multiple wavelengths, the relative errors obtained are compared for a variety of chemical systems of interest, and the advantage of global analysis is quantified. Furthermore, the trade-off between ease and accuracy is ascertained for a variety of techniques including bootstrapping, standard error calculations, and Monte Carlo simulations.

Ascertaining binding constant error when modeling spectrophotometric titration data

254th National Meeting (2017)

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