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• W4382022792 startingPage "867" @default.
• W4382022792 abstract "In this work, catechol and some of its derivatives have been studied by means of cyclic voltammetry on a glassy carbon electrode in aqueous solution containing phosphate buffer (pH 2.0) as supporting electrolyte. The measurements were done at room temperature. The chemical structure of 16 catechol derivatives has been optimized by using of Gaussian 98 program and Quantum Mechanical Calculation Ab Initio. Optimization was performed at the #B3LYP/6-311+G⁎⁎ level. The half-wave potentials (E1/2), were correlated with the calculated energies of the highest occupied molecular orbital (EHOMO) and the lowest unoccupied molecular orbital (ELUMO) of the compounds studies. The linear relationship between E1/2 and EHOMO (or E1/2 and ELUMO), of a series of compounds, demonstrates that they have a similar mechanism of the electron transfer reaction." @default.
• W4382022792 created "2023-06-27" @default.
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• W4382022792 date "2010-06-01" @default.
• W4382022792 modified "2023-10-17" @default.
• W4382022792 title "Experimental and Computational Study on Electrochemical Oxidation of Catechols" @default.
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• W4382022792 doi "https://doi.org/10.1016/s1452-3981(23)15328-4" @default.
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