DFT Studies on Gold-Catalyzed Cycloisomerization of 1,5-Enynes

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• 作者：Ting Fan ; Xihan Chen ; Jianwei Sun ; Zhenyang Lin
• 刊名：Organometallics
• 出版年：2012
• 出版时间：June 11, 2012
• 年：2012
• 卷：31
• 期：11
• 页码：4221-4227
• 全文大小：322K
• 年卷期：v.31,no.11(June 11, 2012)
• ISSN：1520-6041

文摘

Gold-catalyzed cycloisomerization of 1,5-enynes has been investigated with the aid of density functional theory calculations at the B3LYP level of theory. We have examined how substituents influence the reaction paths in the cycloisomerization of 1,5-enynes catalyzed by both AuCl and [AuL]⁺ (L = phosphine).