Theoretical and experimental study of the regioselectivity of phenylacetylene 1,3-dipolar cycloaddition to some arylazides

被引：0
|
作者：
Ahmad Izadyar
Mehdi Bakavoli
Farid Moeinpour
Abolghasem Davoodnia
机构：
[1] Islamic Azad University,Department of Chemistry
[2] Mashhad Branch,Department of Chemistry
[3] Islamic Azad University,undefined
[4] Bandar Abbas Branch,undefined
来源：
Research on Chemical Intermediates | 2015年 / 41卷
关键词：
Regioselectivity; 1,3-Dipolar cycloaddition; Arylazide; DFT-based-reactivity indexes; B3LYP calculations;
D O I：
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中图分类号：
学科分类号：
摘要：
1,3-Dipolar cycloaddition of phenylacetylene to two arylazides afforded new 1,2,3-triazoles. The regioselectivity and reactivity of these reactions was investigated on the basis of density functional theory-based reactivity indexes and activation energy calculations. Theoretical 1H NMR chemical shifts of the cycloadducts obtained by use of the GIAO method were similar to observed values.
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页码：343 / 355
页数：12
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