کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5418398 | 1506962 | 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-deficient olefins
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Theoretical study of the mechanism of high-pressure induced 1,3-dipolar cycloadditions of azides with electron-deficient olefins Theoretical study of the mechanism of high-pressure induced 1,3-dipolar cycloadditions of azides with electron-deficient olefins](/preview/png/5418398.png)
چکیده انگلیسی
The high-pressure induced 1,3-dipolar cycloadditions of azides with electron-deficient olefins have been studied by means of density functional theory (DFT) method. The results derived from the theoretical calculations indicate that the concerted mechanism is both kinetically and thermodynamically preferred to the stepwise one. The experimental observation, which high-pressure could induce the 1,3-dipolar cycloaddition, is also reproduced by present computations. In addition, the solvent effects on the stability of the products and transition states are taken into account.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 817, Issues 1â3, 1 September 2007, Pages 83-90
Journal: Journal of Molecular Structure: THEOCHEM - Volume 817, Issues 1â3, 1 September 2007, Pages 83-90
نویسندگان
Ji-Cai Fan, Tian-Xing Wu, Yun Wang, Xiang Chen, Zhi-Cai Shang,