Data analysis in the determination of stoichiometries and stability constants of complexes
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Bosque Sendra, Juan Manuel; Almansa-López, Eva; García Campaña, Ana María; Cuadros Rodríguez, LuisEditorial
Japan Society for Analytical Chemistry (JSAC)
Materia
Equilibrium constants Computer program Least squares Weak
Date
2003Referencia bibliográfica
Bosque-Sendra, J.M.; et al. Data analysis in the determination of stoichiometries and stability constants of complexes. Analytical Sciences, 19(10): 1431-1439 (2003). [http://hdl.handle.net/10481/32472]
Abstract
The determination of stoichiometries and stability constants of complexes by means of UV-visible spectrophotometry applying traditional methods does not evaluate the quality of the values obtained, since the classic application of these methods does not provide coverage intervals. However, the use of chemometric techniques in different steps of the application of these methods makes it possible to obtain not only a real value of the characteristics of the complexes but a validation of such a value. In this paper a methodology is proposed that combines some traditional methods, three different regression models (LMSR, LSR and LSPR) and a small number of mathematical algorithms. This methodology is able to estimate, in a simple and rigorous way, the stoichiometry and stability constant of a complex and its corresponding uncertainties.