Muñoz Molina, José MaríaSaamera, W. M. C.Maseras, FeliuRodríguez Belderraín, TomásPérez Romero, Pedro José2016-01-082016-01-082011-02Muñoz Molina,J.M., Saamera, W.M.C., Maseras, F., Belderrain, T.R., Pérez Romero, P.J.: "Mechanistic and Computational Studies of the Atom Transfer Radical Addition of CCl4 to Styrene Catalyzed by Copper Homoscorpionate Complexes". Inorganic Chemistry. Vol. 50 (6), págs. 2458–2467, (2011). DOI: 10.1021/ic102279w0020-16691520-510X (electrónico)http://hdl.handle.net/10272/11554Experimental as well as theoretical studies have been carried out with the aim of elucidating the mechanism of the Atom Transfer Radical Addition (ATRA) of styrene and carbon tetrachloride with a TpxCu(NCMe) complex as the catalyst precursor (Tpx = hydrotrispyrazolyl-borate ligand). The studies shown herein demonstrate the effect of different variables in the kinetic behavior. A mechanistic proposal consistent with theoretical and experimental data is presentedengAtribución-NoComercial-SinDerivadas 3.0 Españahttp://creativecommons.org/licenses/by-nc-nd/3.0/es/Copper catalysisATRA reactionsDFT calculationsMechanistic studiesjournal article10.1021/ic102279wopen access