کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5418182 | 1506943 | 2008 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A DFT study on secondary reaction pathways in the acid-catalysed Beckmann rearrangement of cyclohexanone oxime in aprotic solvent
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
In recent studies regarding acid-catalysed Beckmann rearrangement of cyclohexanone oxime in aprotic solvents it has been observed that a quite surprising hydrolysis of the starting material, i.e., cyclohexanone oxime, occurs even if the experimental conditions and the water concentration in the reaction mixture can not justify such a side-reaction. Being this apparent hydrolysis critical for catalyst selectivity and poisoning, a computational DFT study on a possible secondary reaction pathway, involving a bi-molecular reaction between two cyclohexanone oxime molecules in acid media as the primary step, is here reported to explain the experimental results.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 858, Issues 1â3, 15 June 2008, Pages 46-51
Journal: Journal of Molecular Structure: THEOCHEM - Volume 858, Issues 1â3, 15 June 2008, Pages 46-51
نویسندگان
L. Ronchin, M. Bortoluzzi, A. Vavasori,