Computational study on the iodobenzene-catalyzed oxidative cyclization of a δ-alkynyl β-ketoester
(2022)
Journal Article
Butt, S. E., Rodríguez, A., Sotiropoulos, J., & Moran, W. J. (in press). Computational study on the iodobenzene-catalyzed oxidative cyclization of a δ-alkynyl β-ketoester. Arkivoc, 2022(7), 19-26. https://doi.org/10.24820/ark.5550190.p011.745
The iodobenzene-catalyzed oxidative cyclization of a δ-alkynyl β-ketoester has been investigated by density functional theory (DFT) calculations at the CPCM(acetonitrile)/B3LYP/6-311++G(d,p)//B3LYP/SDD(I) levels. Three different mechanisms were consi... Read More about Computational study on the iodobenzene-catalyzed oxidative cyclization of a δ-alkynyl β-ketoester.