Quantitative UV Spectrophotometric Analysis of Mixtures of Substituted C60 Fullerenes

We propose a method for quantitative processing of experimental UV spectrometry data for mixtures of substituted fullerenes, taking into account measurement uncertainties. The experimental data can be represented as a system of Bouguer–Lambert linear equations, including the extinction coefficients for individual substituted fullerenes and the optical densities at wavelengths of the selected absorption maxima for each substituted fullerene. In order to take into account experimental uncertainties, we propose reducing this system of linear algebraic equations to a linear programming problem. Our algorithm allows us to quantitatively determine the fullerene content and the content of substituted fullerene derivatives in the total mixture with uncertainty ≤20%.