One-pot Solvent-free Catalytic Dimerization Reaction of Phenylacetylene to 1-Phenylnaphthalene

被引：0
|
作者：
AVAT (ARMAN) TAHERPOUR
SEPEHR TABAN
AKO YARI
机构：
[1] Razi University,Department of Organic Chemistry, Faculty of Chemistry
[2] Kermanshah University of Medical Sciences,Medical Biology Research Center
[3] Islamic Azad University,Chemistry Department, Science Faculty
来源：
Journal of Chemical Sciences | 2015年 / 127卷
关键词：
Catalytic reactions; Phenylacetylene; 1-Phenylnaphthalene; Copper(0)-Carbone catalyst; Solvent free synthesis; EDS; SEM; Molecular modelling;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
In this study, we report a smooth one-pot, solvent-free catalytic dimerization of phenylacetylene (1) to 1-phenylnaphthalene (2) by Cu/C at room temperature in good yield (∼100%). In the computational study, the structure of the 1-phenylnaphthalene was optimized by DFT-B3LYP/6-31G* method. The rotation barrier around C-C of the phenyl and naphthalene parts of the molecule and its UV-Visible spectrum were calculated. The modelling of the mechanism of production of 2 from 1 was performed with and without Cu/C catalyst. The data of EDS and SEM of the Cu/C catalyst surface are also reported.
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页码：1523 / 1530
页数：7
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