Mechanistic studies of Cp*Ir(iii)/Cp*Rh(iii)-catalyzed branch-selective allylic C-H amidation: why is Cp*Ir(iii) superior to Cp*Rh(iii)?

Ma, N; Liu, ZY; Huang, JH; Dang, YF

Dang, YF (corresponding author), Tianjin Univ, Sch Sci, Dept Chem, Tianjin 300072, Peoples R China.; Huang, JH (corresponding author), Tianjin Univ, Sch Pharmaceut Sci & Technol, Tianjin 300072, Peoples R China.; Liu, ZY (corresponding author), Fuzhou Univ, Coll Mat Sci & Engn, Fuzhou 350108, Peoples R China.

ORGANIC & BIOMOLECULAR CHEMISTRY, 2021; 19 (17): 3850

Abstract

Density functional theory calculations have revealed the mechanism and origins of the reactivity and regioselectivity of the Cp*Ir(iii)/Cp*Rh(iii)-cat......

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