مشخصات پژوهش

عنوان	Electrochemical oxidation of some catechol derivatives in the presence of some betadicetone derivatives: mechanistic and thermodynamic study
نوع پژوهش	مقاله چاپ‌شده در مجلات علمی
کلیدواژه‌ها	Electrochemical oxidation, betadicetone derivatives, mechanistic and thermodynamic study
چکیده	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 ∆G tot, and continuance of reactions during electrolysis is dependent on ∆G tot 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.
پژوهشگران	هادی بیگی نژاد (نفر اول)، داود نعمت الهی (نفر دوم)، صادق خزل پور (نفر سوم)