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

Authors :
Jianwei Sun
Zhenyang Lin
Ting Fan
Xihan Chen
Source :
Organometallics. 31:4221-4227
Publication Year :
2012
Publisher :
American Chemical Society (ACS), 2012.

Abstract

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).

Details

ISSN :
15206041 and 02767333
Volume :
31
Database :
OpenAIRE
Journal :
Organometallics
Accession number :
edsair.doi...........2333be41e98c9c9a0e7f5db34798d693
Full Text :
https://doi.org/10.1021/om300167u