کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5141999 | 1496019 | 2017 | 29 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Comparative spectroscopic and electrochemical study of N-1 or N-2-alkylated 4-nitro and 7-nitroindazoles
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کلمات کلیدی
ESRDensity functional theory computationsnuclear magnetic resonance - رزونانس مغناطیسی هستهایDFT - DFTRadical anions - آنیون های رادیکالNMR - تشدید مغناطیسی هستهای Electron spin resonance - رزونانس اسپین الکترونNMR spectroscopy - طیف سنجی رزونانس مغناطیسی هستهQuantum mechanics - مکانیک کوانتومDensity functional theory - نظریه تابعی چگالیCyclic voltammetry - ولتامتری چرخهای
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی (عمومی)
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Our research groups are by long time involved in the study of the reactivity and the pharmacological activity of nitrogen-containing heterocyclic compounds: in this line we have now examined the behaviour of some substituted 4- and 7-nitroindazoles. Considering the fact that nitroreduction processes are often essential steps for the biological activity of nitro compounds and remembering that some nitroindazoles show interesting biological activities, we have collected nuclear magnetic resonance, electron spin resonance, and cyclic voltammetry data and carried out density functional theory computations on the above compounds thus obtaining an accurate picture of electronic distribution and reduction processes of the examined substrates as a function of their chemical structure. Looking also to our previous results obtained examining the behaviour of 5- and 6-nitroindazoles, we have confirmed the different general behaviour of 1- and 2-alkyl substituted nitroindazoles strictly related to the known different electronic distribution in these two classes of compounds. Interestingly, cyclic voltammetry data have confirmed the ability of N-1H nitroindazoles to give rise to the formation of dimers, already observed by us studying 5- and 6-nitroindazoles.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Arabian Journal of Chemistry - Volume 10, Issue 6, September 2017, Pages 823-836
Journal: Arabian Journal of Chemistry - Volume 10, Issue 6, September 2017, Pages 823-836
نویسندگان
Gabriele Micheletti, Assoman Kouakou, Carla Boga, Paola Franchi, Matteo Calvaresi, Lorella Guadagnini, Marco Lucarini, El Mostapha Rakib, Domenico Spinelli, Domenica Tonelli, Issam Forsal,