Mechanistic and Computational Studies of the Atom Transfer Radical Addition of CCl4 to Styrene Catalyzed by Copper Homoscorpionate Complexes
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 with a TpxCu(NCMe) complex as the catalyst precursor (Tpx = hydrotrispyrazolyl-borate ligand). The studies show...
| Autores: | , , , , |
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| Tipo de documento: | artigo |
| Data de publicação: | 2011 |
| País: | España |
| Recursos: | Universidad de Huelva (UHU) |
| Repositório: | Arias Montano. Repositorio Institucional de la Universidad de Huelva |
| Idioma: | inglês |
| OAI Identifier: | oai:ariasmontano.uhu.es:10272/11554 |
| Acesso em linha: | http://hdl.handle.net/10272/11554 |
| Access Level: | Acceso aberto |
| Palavra-chave: | Copper catalysis ATRA reactions DFT calculations Mechanistic studies |
| Resumo: | 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 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 presented |
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