Electrochemical oxidation of some catechol derivatives in the presence of some betadicetone derivatives: mechanistic and thermodynamic study
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- 作者：Hadi Beiginejad ; Davood Nematollahi…
- 关键词：Cyclic voltammetry ; Controlled ; potential coulometry ; Density functional theory (DFT) ; Total change of Gibbs free energy (ΔGtot)
- 刊名：Journal of the Iranian Chemical Society
- 出版年：2017
- 出版时间：April 2017
- 年：2017
- 卷：14
- 期：4
- 页码：873-882
- 全文大小：
- 刊物主题：Analytical Chemistry; Inorganic Chemistry; Physical Chemistry; Biochemistry, general; Organic Chemistry;
- 出版者：Springer Berlin Heidelberg
- ISSN：1735-2428
- 卷排序：14
文摘
Electrochemical oxidations of 4-methylcatechol (1), 4-tert-butylcatechol (5) and catechol (7) in the presence of different nucleophiles have been investigated both experimentally and theoretically. Experimental results have been obtained by means of cyclic voltammetry and controlled-potential coulometry. Also the theoretical results were calculated at DFT (B3LYP) level of theory and 6–311+G (p, d) basis set. The calculated results indicate that oxidation potential of catechols (1, 5, 7) and their substituted species are directly dependent on the ∆Gtot, and continuance of reactions during electrolysis is dependent on ∆Gtot of produced species on the surface of electrode. The current study indicates that theoretical studies along with empirical research can be useful in displaying electrochemical reaction mechanisms.