کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5417784 | 1506958 | 2007 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Theoretical study of the mechanism of high-pressure induced 1,3-dipolar cycloadditions of azides with electron-rich olefins
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The high-pressure induced 1,3-dipolar cycloadditions of azides with electron-rich olefins have been studied by means of density functional theory (DFT) method. It is shown that high-pressure could induce the 1,3-dipolar cycloaddition of azides not only with electron-deficient olefins but also with electron-rich ones. The results derived from the theoretical calculations also indicate that the concerted mechanism is both kinetically and thermodynamically preferred to the stepwise one. In addition, the solvent effects on the stability of the products and transition states are taken into account, and the comparison of the calculated results between the 1,3-dipolar cycloadditions of azides with electron-deficient olefins and electron-rich ones is employed.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 821, Issues 1â3, 1 November 2007, Pages 145-152
Journal: Journal of Molecular Structure: THEOCHEM - Volume 821, Issues 1â3, 1 November 2007, Pages 145-152
نویسندگان
Ji-Cai Fan, Jun Liang, Yun Wang, Zhi-Cai Shang,