A DFT study of rhodium-catalyzed intermolecular [5+1] cycloaddition of 3-acyloxy-1,4-enyne(ACE)and C

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：woyaopojiemimaya

【摘要】

：

The first theoretical study on the mechanism of [RhCl(CO)2]2-catalyzed [5+1] cycloadditions of 3-acyloxy-1,4-enyne(ACE) and CO has been performed using density functional theory(DFT) calculations.

【作者】

：

X.N.Ke C.M.Schienebeck C.C.Zhou X.F.Xu W.P.Tang

【机构】

：

Department of Chemistry,State Key Laboratory of Elemento-Organic Chemistry,Nankai University,Tianjin

【出处】

：

The 15th ICQC International Congress of Quantum Chemistry(第1

【发表日期】

：

2015年5期

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The first theoretical study on the mechanism of [RhCl(CO)2]2-catalyzed [5+1] cycloadditions of 3-acyloxy-1,4-enyne(ACE) and CO has been performed using density functional theory(DFT) calculations.

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A DFT study of rhodium-catalyzed intermolecular [5+1] cycloaddition of 3-acyloxy-1,4-enyne(ACE)and C

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