Electrochemical oxidation of 2,5-diethoxy-4-morpholinoaniline in the presence of p-toluenesulfinic acid: Experimental and theoretical study
کد مقاله : 1078-PHYSCHEM20
هادی بیگی نژاد *
هیأت علمی/دانشگاه ملایر
چکیده مقاله:
Electrochemical oxidation of 2,5-diethoxy-4-orpholinoaniline (1) in aqueous solution has been investigated both experimentally and theoretically to bring hints into the connection of thermodynamic and oxidation potential. The experimental results were obtained using cyclic voltammetry and controlled potential coulometry. Also the theoretical results were calculated at DFT (B3LYP) level of theory and 6–311G (p,d) basis sets. The result of this work shows that the electrochemical generated p-quinonedimine (1a) participates in the hydrolysis reaction and is converted to p-benzoquinone. It was found that species with larger ∆Gtot value have more positive oxidation potentials Also electrochemical oxidation of 1 in the presence of p-toluenesulfinic acid (TSA) was studied in view point of thermodynamic.
کلیدواژه ها:
Cyclic voltammetry; para-quinonedimine; Hydrolysis; para-benzoquinone; Density Functional Theory (DFT).
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