title: Catalytic cross-coupling of diazo compounds with coinage metal-based catalysts: an experimental and theoretical study.
abstract: We examined the ability of Tp(x)M (Tp(x) = hydrotris(pyrazolyl)borate ligand; M = Cu and Ag) and IPrMCl (IPr = 1,3-bis(diisopropylphenyl)imidazol-2-ylidene; M = Cu, Ag, Au) complexes as catalyst precursors for the cross-coupling of diazo compounds. Experimental data showed that the metal centre can be tuned with the appropriate selection of the ligand to yield either the homo- or hetero-coupling (cross-coupling) products. A computational study of the reaction mechanism allowed the rationalization of the experimental reactivity patterns, and the identification of the key reaction step controlling the selectivity: the initial reaction between the metallocarbene intermediate and one of the diazo compounds.
authors: Laboratorio de Catálisis Homogénea, Departamento de Química y Ciencias de los Materiales, Unidad Asociada al CSIC, Centro de Investigación en Química Sostenible (CIQSO), Universidad de Huelva, Campus de El Carmen s/n, 21007 Huelva, Spain.
authors: Ivan
authors: I
authors: Rivilla
authors: W M C
authors: WM
authors: Sameera
authors: Eleuterio
authors: E
authors: Alvarez
authors: M Mar
authors: MM
authors: Díaz-Requejo
authors: Feliu
authors: F
authors: Maseras
authors: Pedro J
authors: PJ
authors: Pérez