C-H Oxidative Addition of Bisimidazolium Salts to Iridium and Rhodium Complexes, and N-Heterocyclic Carbene Generation. A Combined Experimental and Theoretical Study
| العنوان: | C-H Oxidative Addition of Bisimidazolium Salts to Iridium and Rhodium Complexes, and N-Heterocyclic Carbene Generation. A Combined Experimental and Theoretical Study |
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| المؤلفون: | Mónica Viciano, Eduardo Peris, Mercedes Sanau, Gregori Ujaque, Andrea Rossin, Macarena Poyatos, Agustí Lledós |
| المصدر: | Recercat. Dipósit de la Recerca de Catalunya instname Dipòsit Digital de Documents de la UAB Universitat Autònoma de Barcelona Recercat: Dipósit de la Recerca de Catalunya Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya) |
| سنة النشر: | 2021 |
| مصطلحات موضوعية: | Inorganic Chemistry, chemistry.chemical_compound, chemistry, Organic Chemistry, Polymer chemistry, chemistry.chemical_element, Organic chemistry, Iridium, Physical and Theoretical Chemistry, Carbene, Oxidative addition, PREI2008, Rhodium |
| الوصف: | Premi a l'excel·lència investigadora. Àmbit de les Ciències Experimentals. 2008 A series of bis-N-heterocyclic carbenes of rhodium and iridium have been obtained and characterized. The formation of the M-C bond has been studied according to experimental and theoretical data, showing that two different mechanisms are operative for the first (single proton deprotonation of the bisimidazolium salt, or oxidative addition followed by deprotonation of the metal hydride) and second (oxidative addition of the second bisimidazolium C-H bond, yielding a NHC-IrIII-H species) metalation processes. In the case of complexes with long linkers between the imidazolium rings, reductive elimination of HCl affords bisimidazolylidene complexes of IrI. According to the theoretical studies we concluded that thermodynamic parameters would determine the formation of the NHC-IrIII-H species, while IrI-NHC species would be kinetically favored in the case of complexes with long linkers between the azole rings. The crystal structures of a series of Ir-bis(NHC) complexes are described. |
| وصف الملف: | application/pdf |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e24e93641eaa04f9a2d677831f6d3ce2 http://hdl.handle.net/2072/392441 |
| Rights: | OPEN |
| رقم الانضمام: | edsair.doi.dedup.....e24e93641eaa04f9a2d677831f6d3ce2 |
| قاعدة البيانات: | OpenAIRE |
| الوصف غير متاح. |