Mechanistic and computational studies of the atom transfer radical addition of CCl<inf>4</inf> to styrene catalyzed by copper homoscorpionate complexes

José María Muñoz-Molina, W. M.C. Sameera, Eleuterio Álvarez, Feliu Maseras, Tomás R. Belderrain, Pedro J. Pérez

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33 Citations (Scopus)

Abstract

Experimental 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 wwith 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 presented. © 2011 American Chemical Society.
Original languageEnglish
Pages (from-to)2458-2467
JournalInorganic Chemistry
Volume50
Issue number6
DOIs
Publication statusPublished - 21 Mar 2011

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