مشخصات پژوهش

عنوان	Thermodynamic and Electrochemical Oxidation of Some Diamine Derivatives: Experimental and Theoretical Investigation
نوع پژوهش	مقاله چاپ‌شده در مجلات علمی
کلیدواژه‌ها	Thermodynamic Electrochemical Oxidation Diamine
چکیده	Electrochemical oxidation of some diamine derivatives (1H+–4H+) has been investigated both experimentally and theoretically. Experimental results were obtained using cyclic voltammetry and controlled potential coulometry and the theoretical results were calculated at DFT (B3LYP and BP86) levels of theory and 6–311+G (p,d) basis set. The calculated result indicates that oxidation potential of 1H+–4H+ is directly dependent on theGtot and species with more positive oxidation potential (EpA1) have largerGtot values. Also in this paper electrochemical oxidations of N,N-diethyl-p-phenylenediamine (3) were studied in the absence and in the presence of some nucleophiles. Mechanistic study of the electrochemical oxidation of 3 indicates that its electrochemical oxidation proceed in the thermodynamically favored direction.
پژوهشگران	هادی بیگی نژاد (نفر اول)، داود نعمت الهی (نفر دوم)، صادق خزل پور (نفر سوم)