Experimental and computational investigation of the substituent effects on the reduction of Fe³⁺ by 1,2-dihydroxybenzenes
This study reports on the kinetics of the early steps that mediate the reactions of substituted 1,2-dihydroxybenzenes (1,2-DHB) with Fe³⁺. The rate constants of the three processes identified by means of the stopped-flow technique are affected by the electron-withdrawing or electron-donating abiliti...
| Autores principales: | , , , , , , |
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| Formato: | Articulo |
| Lenguaje: | Inglés |
| Publicado: |
2017
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| Materias: | |
| Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/147730 |
| Aporte de: |
| id |
I19-R120-10915-147730 |
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| record_format |
dspace |
| institution |
Universidad Nacional de La Plata |
| institution_str |
I-19 |
| repository_str |
R-120 |
| collection |
SEDICI (UNLP) |
| language |
Inglés |
| topic |
Ciencias Exactas Química kinetics 1,2-dihydroxybenzenes |
| spellingShingle |
Ciencias Exactas Química kinetics 1,2-dihydroxybenzenes Salgado, Pablo Raúl Contreras, David Mansilla, Héctor D. Márquez, Katherine Vidal, Gladys Cobos, Carlos Jorge Mártire, Daniel Osvaldo Experimental and computational investigation of the substituent effects on the reduction of Fe³⁺ by 1,2-dihydroxybenzenes |
| topic_facet |
Ciencias Exactas Química kinetics 1,2-dihydroxybenzenes |
| description |
This study reports on the kinetics of the early steps that mediate the reactions of substituted 1,2-dihydroxybenzenes (1,2-DHB) with Fe³⁺. The rate constants of the three processes identified by means of the stopped-flow technique are affected by the electron-withdrawing or electron-donating abilities of the substituent. The fastest process is assigned to the formation of a 1 : 1 complex between Fe³⁺ and the 1,2-DHB, which is accompanied by proton loss. The second process involves the inner-sphere electron transfer from the ligand to Fe³⁺ and the slowest step is related to the deprotonation of one of the oxygen atoms bonded to the metal. A reaction mechanism is proposed on the basis of the experimental data and density functional theory (DFT) calculations on mono- and bidentate species with different degrees of protonation. |
| format |
Articulo Articulo |
| author |
Salgado, Pablo Raúl Contreras, David Mansilla, Héctor D. Márquez, Katherine Vidal, Gladys Cobos, Carlos Jorge Mártire, Daniel Osvaldo |
| author_facet |
Salgado, Pablo Raúl Contreras, David Mansilla, Héctor D. Márquez, Katherine Vidal, Gladys Cobos, Carlos Jorge Mártire, Daniel Osvaldo |
| author_sort |
Salgado, Pablo Raúl |
| title |
Experimental and computational investigation of the substituent effects on the reduction of Fe³⁺ by 1,2-dihydroxybenzenes |
| title_short |
Experimental and computational investigation of the substituent effects on the reduction of Fe³⁺ by 1,2-dihydroxybenzenes |
| title_full |
Experimental and computational investigation of the substituent effects on the reduction of Fe³⁺ by 1,2-dihydroxybenzenes |
| title_fullStr |
Experimental and computational investigation of the substituent effects on the reduction of Fe³⁺ by 1,2-dihydroxybenzenes |
| title_full_unstemmed |
Experimental and computational investigation of the substituent effects on the reduction of Fe³⁺ by 1,2-dihydroxybenzenes |
| title_sort |
experimental and computational investigation of the substituent effects on the reduction of fe³⁺ by 1,2-dihydroxybenzenes |
| publishDate |
2017 |
| url |
http://sedici.unlp.edu.ar/handle/10915/147730 |
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Repositorios |
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