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

doi:10.1021/ic102279w

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

Department of Chemistry

Research output: Contribution to journal › Article › Research › peer-review

34 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 language	English
Pages (from-to)	2458-2467
Journal	Inorganic Chemistry
Volume	50
Issue number	6
DOIs	https://doi.org/10.1021/ic102279w
Publication status	Published - 21 Mar 2011

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title = "Mechanistic and computational studies of the atom transfer radical addition of CCl4 to styrene catalyzed by copper homoscorpionate complexes",

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. {\textcopyright} 2011 American Chemical Society.",

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Mechanistic and computational studies of the atom transfer radical addition of CCl<inf>4</inf> to styrene catalyzed by copper homoscorpionate complexes. / Muñoz-Molina, José María; Sameera, W. M.C.; Álvarez, Eleuterio et al.
In: Inorganic Chemistry, Vol. 50, No. 6, 21.03.2011, p. 2458-2467.

Research output: Contribution to journal › Article › Research › peer-review

TY - JOUR

T1 - Mechanistic and computational studies of the atom transfer radical addition of CCl4 to styrene catalyzed by copper homoscorpionate complexes

AU - Muñoz-Molina, José María

AU - Sameera, W. M.C.

AU - Álvarez, Eleuterio

AU - Maseras, Feliu

AU - Belderrain, Tomás R.

AU - Pérez, Pedro J.

PY - 2011/3/21

Y1 - 2011/3/21

N2 - 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.

AB - 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.

U2 - 10.1021/ic102279w

DO - 10.1021/ic102279w

M3 - Article

SN - 0020-1669

VL - 50

SP - 2458

EP - 2467

JO - Inorganic Chemistry

JF - Inorganic Chemistry

IS - 6

ER -

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

Abstract

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