کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5416391 | 1506894 | 2010 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Effect of the remote polar substituents on the pi-facial selectivity of carbonyl ene reaction: A computational study
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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: Effect of the remote polar substituents on the pi-facial selectivity of carbonyl ene reaction: A computational study Effect of the remote polar substituents on the pi-facial selectivity of carbonyl ene reaction: A computational study](/preview/png/5416391.png)
چکیده انگلیسی
Effect of remote polar substituents on the pi-diastereofacial selectivity of Lewis acid catalyzed carbonyl ene reaction has been investigated. Quantum chemical investigations using B3LYP/6-31Gâ level of theory on various substrates where the carbonyl group resides in an isosteric environment revealed that electrostatic effect plays a crucial role in determining the relative energies of the corresponding transition structures (TS) of the carbonyl ene reaction. This fact is nicely reflected in the product diastereoselectivities of various model carbonyl ene reactions.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 951, Issues 1â3, 15 July 2010, Pages 1-6
Journal: Journal of Molecular Structure: THEOCHEM - Volume 951, Issues 1â3, 15 July 2010, Pages 1-6
نویسندگان
Kuheli Chakrabarty, Sampad Narayan Gupta, Sukhendu Roy, Gourab Kanti Das,