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Browsing by Author "Braga, Ataualpa A. C."
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Mechanism of Side Reactions in Alkane C-H Bond Functionalization by Diazo Compounds Catalyzed by Ag and Cu Homoscorpionate Complexes—A DFT Study
Braga, Ataualpa A. C.; Caballero Bevia, Ana; Urbano Baena, Juan
; Díaz Requejo, María Mar
; Pérez Romero, Pedro José
; Maseras, Feliu (Wiley-VCH Verlag, 2011)
DFT computational methods were applied to the mechanistic study of the formation of fumarate and maleate derivatives in a solution containing alkane, TpBr3M [M=Cu, Ag; TpBr3=hydrotris(3,4,5-tribromopyrazolyl)borate] and ... -
Mechanistic Studies on Gold-Catalyzed Direct Arene C–H Bond Functionalization by Carbene Insertion: The Coinage-Metal Effect
Romero Fructos-Vázquez, Manuel; Besora, María; Braga, Ataualpa A. C.; Díaz Requejo, María Mar
; Maseras, Feliu; Pérez Romero, Pedro José
(American Chemical Society, 2017)
The catalytic functionalization of the Csp 2-H bond of benzene by means of the insertion of the CHCO2Et group from ethyl diazoacetate (N2=CHCO2Et) has been studied with the series of coinage metal complexes IPrMCl (IPr ...