کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5201078 1502883 2016 17 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
On NMR prediction of the antioxidant effectiveness of p-substituted diphenyl amines
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
On NMR prediction of the antioxidant effectiveness of p-substituted diphenyl amines
چکیده انگلیسی
NMR shifts of a series of ten p-substituted diphenyl amine antioxidants in DMSO have been measured as well as evaluated by B3LYP calculations. At 25 °C no correlation between Molar Antioxidant Effectiveness (AEM) and NMR chemical shifts of relevant atoms is evident. AEM at 130 °C increases with NMR chemical shifts of nitrogen atoms between aromatic rings and hydrogen atoms bonded to them with very good statistical parameters (except nitro- and nitroso-compounds). This treatment might aid to a very simple estimation of high-temperature AEM values based on NMR shifts (experimental or calculated by quantum-chemical methods) of relevant atoms. Our results confirm that the essential mechanism of the antioxidant action is temperature-dependent.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Polymer Degradation and Stability - Volume 130, August 2016, Pages 189-193
نویسندگان
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