Mechanistic and Computational Studies of the Atom Transfer Radical Addition of CCl4 to Styrene Catalyzed by Copper Homoscorpionate Complexes

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dc.contributor.authorMuñoz Molina, José María
dc.contributor.authorSaamera, W. M. C.
dc.contributor.authorMaseras, Feliu
dc.contributor.authorRodríguez Belderraín, Tomás
dc.contributor.authorPérez Romero, Pedro José
dc.date.accessioned2016-01-08T08:06:29Z
dc.date.available2016-01-08T08:06:29Z
dc.date.issued2011-02
dc.description.abstractExperimental 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 presenteden_US
dc.description.centerCIQSO
dc.description.departmentIngeniería Química, Química Física y Ciencias de los Materiales
dc.description.sponsorshipWe thank the MICINN (Grants CTQ2008-00042BQU, CTQ2008-06866-CO2-02/BQU, and Consolider Ingenio 2010 CSD2006-0003) and the Junta de Andalucia (Proyecto P07-FQM-02794) for financial support.MICINN (Grants CTQ2008–00042BQU, CTQ2008-06866-CO2-02/BQU and Consolider Ingenio 2010 CSD2006-0003) and the Junta de Andalucía (Proyecto P07-FQM-02794)
dc.identifier.citationMuñoz 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/ic102279w
dc.identifier.doi10.1021/ic102279w
dc.identifier.issn0020-1669
dc.identifier.issn1520-510X (electrónico)
dc.identifier.urihttp://hdl.handle.net/10272/11554
dc.language.isoengen_US
dc.relation.projectIDinfo:eu-repo/grantAggreement/MICINN [CTQ2008-00042BQU, CTQ2008-06866-CO2-02/BQU, CSD2006-0003]
dc.relation.projectIDinfo:eu-repo/grantAggreement/Junta de Andalucia [P07-FQM-02794]
dc.relation.publisherversionhttp://pubs.acs.org/doi/abs/10.1021/ic102279w
dc.rightsAtribución-NoComercial-SinDerivadas 3.0 España*
dc.rights.accessRightsopen accessen_US
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es/*
dc.subject.otherCopper catalysis
dc.subject.otherATRA reactions
dc.subject.otherDFT calculations
dc.subject.otherMechanistic studies
dc.titleMechanistic and Computational Studies of the Atom Transfer Radical Addition of CCl4 to Styrene Catalyzed by Copper Homoscorpionate Complexesen_US
dc.typejournal articleen_US
dspace.entity.typePublication
relation.isAuthorOfPublication8e141a40-1260-4c0a-a95d-0ef4e63b8aad
relation.isAuthorOfPublication44ec727a-e9d0-466d-97eb-2c54fb56986f
relation.isAuthorOfPublicationc6f8222a-d8d2-4736-baa6-4a2330bdf6b6
relation.isAuthorOfPublication.latestForDiscovery8e141a40-1260-4c0a-a95d-0ef4e63b8aad

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