Multiparametric curve fitting--VIII: The reliability of dissociation constants estimated by analysis of absorbance-pH curves.
作者： M Meloun
DOI: 10.1016/0039-9140(85)80217-4
关键词: Function (mathematics) 、 Stability (probability) 、 Curve fitting 、 Spectrophotometry 、 Protonation 、 Dissociation (chemistry) 、 Absorbance 、 Dissociation constant 、 Chemistry 、 Analytical chemistry
摘要: Abstract The program SPOPT estimates stability constants β pqr and molar absorptivities ϵ of all light-absorbing species M p L q H r by analysis the absorbance-concentration (or absorbance-pH) curve. DCMINUIT dissociation protonated species. Both programs have been tested compared with DCLET LETAGROP-SPEFO for overlapping equilibria a triprotic acid. Computer plots residual-square-sum function are used to test conditioning parameters. Two approaches made formulation mathematical model, several optimization algorithms find reliable minimization procedure. accuracy ill-conditioned parameters is shown be dependent on precision absorbance measurements. General rules investigation A -pH curves recommended.
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