Integrating a Smartphone and Molecular Modeling for Determining the Binding Constant and Stoichiometry Ratio of the Iron(II)–Phenanthroline Complex: An Activity for Analytical and Physical Chemistry Laboratories

摘要: The binding constant and stoichiometry ratio for the formation of iron(II)–(1,10-phenanthroline) or iron(II)–o-phenanthroline complexes has been determined by a combination low-cost analytical method using smartphone molecular modeling as laboratory experiment designed physical chemistry courses. Intensity values were obtained from digital images measuring RGB (red, green, blue) (on scale 0–255 in intensity) samples between Fe(II) o-phenanthroline camera smartphone. R channel showed best linearity predicting constant. For computational studies, iron(II) water molecules 1,10-phenanthroline used to evaluate stability complex varying number ligands. Complexes have optimized reaching minimum amount energy. It was possible observe how stable are optimization calculations, including aspects about achieve...