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http://hdl.handle.net/2445/142606
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DC Field | Value | Language |
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dc.contributor.author | Jover Modrego, Jesús | - |
dc.contributor.author | Maseras Cuní, Feliu | - |
dc.date.accessioned | 2019-10-21T13:57:16Z | - |
dc.date.available | 2019-10-21T13:57:16Z | - |
dc.date.issued | 2016 | - |
dc.identifier.issn | 0276-7333 | - |
dc.identifier.uri | http://hdl.handle.net/2445/142606 | - |
dc.description.abstract | The Ir-catalyzed C-H borylation of methyl benzoate has been studied with DFT methodology in order to understand the experimentally observed ligand-induced regioselectivity and activity when different [(ligand)Ir(Bpin)3] catalysts are employed. While bidentate ligands such as 4,4′-di-tBu-2,2′-bipyridine (dtbpy) completely inhibit ortho-borylation, the use of selected triphenylphosphine derivatives enables the reaction on that position, avoiding the meta- and para-regioisomers. The analysis of the catalytic cycles for the borylation reactions with dtbpy, PPh3, P(p-CF3C6H4)3, and P(m,m-(CF3)2C6H3)3 allows the interpretation of the observed ligand effects. The different reactivity observed for the different monodentate phosphine ligands can also be rationalized in terms of catalyst stability. | - |
dc.format.extent | 6 p. | - |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | - |
dc.publisher | American Chemical Society | - |
dc.relation.isformatof | Versió postprint del document publicat a: https://doi.org/10.1021/acs.organomet.6b00562 | - |
dc.relation.ispartof | Organometallics, 2016, vol. 35, num. 18, p. 3221-3226 | - |
dc.relation.uri | https://doi.org/10.1021/acs.organomet.6b00562 | - |
dc.rights | (c) American Chemical Society , 2016 | - |
dc.source | Articles publicats en revistes (Química Inorgànica i Orgànica) | - |
dc.subject.classification | Catàlisi | - |
dc.subject.classification | Lligands | - |
dc.subject.other | Catalysis | - |
dc.subject.other | Ligands | - |
dc.title | Mechanistic investigation of iridium-catalyzed C-H borylation of methyl benzoate: Ligand effects in regioselectivity and activity | - |
dc.type | info:eu-repo/semantics/article | - |
dc.type | info:eu-repo/semantics/acceptedVersion | - |
dc.identifier.idgrec | 667379 | - |
dc.date.updated | 2019-10-21T13:57:16Z | - |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | - |
Appears in Collections: | Articles publicats en revistes (Química Inorgànica i Orgànica) |
Files in This Item:
File | Description | Size | Format | |
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667379.pdf | 1.73 MB | Adobe PDF | View/Open |
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