RT info:eu-repo/semantics/article T1 Transmetalation reactions triggered by electron transfer between organocopper complexes A1 Lozano Lavilla, Olmo A1 Gómez Orellana, Pablo A1 Lledós, Agustí A1 Casares González, Juan Ángel K1 Transmetalation K1 Transmetalación K1 Organocopper complexes K1 Compuestos de organocobre AB [Cu(bipy)(C6F5)] reacts with most aryl iodides to form heterobiphenyls by cross-coupling, but when Rf–I is used (Rf = 3,5-dicholoro-2,4,6-trifluorophenyl), homocoupling products are also formed. Kinetic studies suggest that, for the homocoupling reaction, a mechanism based on transmetalation from [Cu(bipy)(C6F5)] to Cu(III) intermediates formed in the oxidative addition step is at work. Density functional theory calculations show that the interaction between these Cu(III) species and the starting Cu(I) complex involves a Cu(I)–Cu(III) electron transfer concerted with the formation of an iodine bridge between the metals and that a fast transmetalation takes place in a dimer in a triplet state between two Cu(II) units. PB ACS Publications SN 0020-1669 YR 2021 FD 2021 LK https://uvadoc.uva.es/handle/10324/50923 UL https://uvadoc.uva.es/handle/10324/50923 LA eng NO Inorganic Chemistry, 2021, vol. 60, n. 15. p. 11633-11639 NO Producción Científica DS UVaDOC RD 27-abr-2024