RT info:eu-repo/semantics/article T1 The Negishi Catalysis: Full Study of the Complications in the Transmetalation Step and Consequences for the Coupling Products A1 Pozo, Juan del A1 Salas Hernández, Gorka A1 Casares González, Juan Ángel A1 Álvarez, Rosana A1 Espinet Rubio, Pablo K1 Chemistry AB In addition to the expected products, trans- and cis- [PdRfMe(PPh3)2], the transmetalation between ZnMe2 and trans- [PdRfCl(PPh3)2] yields [PdMeCl(PPh3)2] and ZnRfMe as the result of secondary transmetalation processes. ZnRfMe is also formed by reaction of trans and cis-[PdRfMe(PPh3)2] with ZnMe2. The different competitive reaction mechanisms that participate in the transmetalations have been studied experimentally and by DFT calculations. The relative contribution of each reaction pathway in the formation of the unwanted product ZnRfMe has been measured. The effect of excess ligand (PPh3) on the several transmetalations has been stablished. PB American Chemical Society SN 0276-7333 YR 2016 FD 2016 LK http://uvadoc.uva.es/handle/10324/21740 UL http://uvadoc.uva.es/handle/10324/21740 LA eng NO Organometallics, 2016, 35 (20), p. 3604–3611 NO Producción Científica DS UVaDOC RD 23-abr-2024