Title of article
A theoretical study on the regioselectivity of 1,3-dipolar cycloadditions using DFT-based reactivity indexes
Author/Authors
M.José Aurell، نويسنده , , Luis R. Domingo، نويسنده , , Patricia Pérez، نويسنده , , Renato Contreras، نويسنده ,
Issue Information
هفته نامه با شماره پیاپی سال 2004
Pages
7
From page
11503
To page
11509
Abstract
The regioselectivity for a series of four 1,3-dipolar cycloaddition reactions has been studied using global and local reactivity indexes. The results of the theoretical analysis suggest that for asynchronous cycloadditions associated to polar processes, the regioselectivity is consistently explained by the most favorable two-center interactions between the highest nucleophilic and electrophilic sites of the reagents.
Keywords
Regioselectivity , Local electrophilicity , 1 , Fukui functions , Density functional theory , 3-dipolar cycloadditions
Journal title
Tetrahedron
Serial Year
2004
Journal title
Tetrahedron
Record number
1087367
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