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Autor/inn/en | de Morais, Camilo de L. M.; Silva, Se´rgio R. B.; Vieira, Davi S.; Lima, Ka´ssio M. G. |
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Titel | 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 |
Quelle | In: Journal of Chemical Education, 93 (2016) 10, S.1760-1765 (6 Seiten)Infoseite zur Zeitschrift
PDF als Volltext |
Sprache | englisch |
Dokumenttyp | gedruckt; online; Zeitschriftenaufsatz |
ISSN | 0021-9584 |
DOI | 10.1021/acs.jchemed.6b00112 |
Schlagwörter | Stoichiometry; Chemistry; Laboratory Experiments; Integrated Activities; Handheld Devices; Molecular Structure; Science Activities; Undergraduate Students; Hands on Science; Spectroscopy; Courseware; Teaching Methods |
Abstract | 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 of a low-cost analytical method using a smartphone and a molecular modeling method as a laboratory experiment designed for analytical and physical chemistry courses. Intensity values were obtained from the digital images by measuring the RGB (red, green, blue) values (on a scale of 0-255 in intensity) of the samples between Fe(II) and o-phenanthroline using a digital camera from a smartphone. The R channel showed the best linearity for predicting the binding constant. For computational studies, iron(II) complexes using water molecules and 1,10-phenanthroline were used to evaluate the stability of the complex by varying the number of ligands. Complexes have been optimized by reaching a minimum amount of energy. It was possible to observe how stable the complexes are from the optimization calculations, including aspects about the achieved geometries. The approach provides a simple method for performing stability constants over a wide range of complexes, from the undergraduate chemistry laboratories, in the field, and in the research laboratory. (As Provided). |
Anmerkungen | Division of Chemical Education, Inc and ACS Publications Division of the American Chemical Society. 1155 Sixteenth Street NW, Washington, DC 20036. Tel: 800-227-5558; Tel: 202-872-4600; e-mail: eic@jce.acs.org; Web site: http://pubs.acs.org/jchemeduc |
Erfasst von | ERIC (Education Resources Information Center), Washington, DC |
Update | 2020/1/01 |