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Determination of the absolute redox potential of methyldopa: experimental and simulation methodes | ||
| Iranian chemical communication | ||
| مقاله 7، دوره 3، Issue 4, pp. 283-387, Serial No. 9، دی 2015، صفحه 348-355 اصل مقاله (202.05 K) | ||
| نوع مقاله: Original Research Article | ||
| نویسندگان | ||
| Reza Samimi Shalamzari؛ Simin Mansouri* ؛ Akram Eghbali | ||
| Department of Chemistry, Payame Noor University, PB BOX 19395-4697 Tehran, Iran | ||
| چکیده | ||
| The conditional formal potential, E°′of Methyldopa has been studied by cyclic voltammetry at the surface of activated glassy carbon electrode (AGCE) as the working electrode in different pH phosphate buffered solutions. The experimental Standard redox potential, E°′, of Methyldopa is obtained to be 0.72 mV versus SHE (Standard Hydrogen Electrode). E°′ values have also been calculated with the aid of density functional theory (DFT) method at B3LYP/6-311G Basis set in conjunction with a Polarizable Continuum Model (PCM). Innovative application of both Direct and indirect methods resulted in theoretical standard electrode potentials of the studied Methyldopa in the order of 0.68 and 0.74 mV, respectively. These results were found to be in excellent agreement with the experimental value in the order of 0.72 mV. | ||
| کلیدواژه‌ها | ||
| Methyldopa؛ standard redox potential؛ cyclic voltammetry؛ polarizable continuum model؛ abintio calculations | ||
| مراجع | ||
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