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http://hdl.handle.net/2445/163726
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DC Field | Value | Language |
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dc.contributor.author | Gómez, Johana | - |
dc.contributor.author | Leiva, Nelson | - |
dc.contributor.author | Arancibia, Rodrigo | - |
dc.contributor.author | Oyarzo, Juan | - |
dc.contributor.author | Buono-Cuore, Gonzalo E. | - |
dc.contributor.author | Klahn, Hugo | - |
dc.contributor.author | Artigas, Vania | - |
dc.contributor.author | Fuentealba, Mauricio | - |
dc.contributor.author | Bosque Pueyo, Ramón | - |
dc.contributor.author | Aullón López, Gabriel | - |
dc.contributor.author | López Martínez, Ma. Concepción | - |
dc.contributor.author | Font Bardia, Ma. Mercedes | - |
dc.contributor.author | Calvet Pallàs, Maria Teresa | - |
dc.date.accessioned | 2020-06-02T11:47:03Z | - |
dc.date.available | 2020-06-02T11:47:03Z | - |
dc.date.issued | 2016-06-18 | - |
dc.identifier.issn | 0022-328X | - |
dc.identifier.uri | http://hdl.handle.net/2445/163726 | - |
dc.description.abstract | The synthesis of novel cyrhetrenyl hydrazones of general formula [Re{(η5-C5H4)single bondC(R1) = NNHR2}(CO)3] {with R1 = H and R2 = 4-NO2single bondC6H4 (4a), C6H5 (4b) or H (4c) or R1 = Me and R2 = 4-NO2single bondC6H4 (5a), C6H5 (5b) or H (5c)} is described. Compounds 4a-4c and 5a-5c were characterized by mass spectrometry and IR spectroscopy. 1H and 13C{1H} NMR studies revealed that 4a-4c and 5a-5c adopt the anti-(E) configuration in solution. X-ray crystal structures of compounds 4a and 5c confirmed the trans-arrangement of the cyrhetrenyl 'Re(η5-C5H4)(CO)3' and the -NHR2 moieties and the existence of strong hydrogen bonds involving the single bondNHsingle bond unit. Molecular Orbital calculations at a DFT level have also been carried out in order to rationalize the influence of the nature of the substituent R3 of [R3CH = NNH(4-NO2single bondC6H4)] (R3 = ferrocenyl, (3a), cyrhetrenyl (4a), phenyl (6a) or cymantrenyl (7a) on the electronic delocalization, the nucleophilicity of the imine carbon, the polarizability and hyperpolarizability of these compounds, and computational studies using time-dependent density functional (TD-DFT) calculations have also been carried out in order to assign the bands detected in their electronic spectra and to explain the effect produced by the solvent. | - |
dc.format.extent | 29 p. | - |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | - |
dc.publisher | Elsevier B.V. | - |
dc.relation.isformatof | Versió postprint del document publicat a: https://doi.org/10.1016/j.jorganchem.2016.06.026 | - |
dc.relation.ispartof | Journal of Organometallic Chemistry, 2016, vol. 819, p. 129-137 | - |
dc.relation.uri | https://doi.org/10.1016/j.jorganchem.2016.06.026 | - |
dc.rights | cc-by-nc-nd (c) Elsevier B.V., 2016 | - |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/3.0/es | - |
dc.source | Articles publicats en revistes (Mineralogia, Petrologia i Geologia Aplicada) | - |
dc.subject.classification | Estructura cristal·lina (Sòlids) | - |
dc.subject.classification | Compostos orgànics | - |
dc.subject.other | Layer structure (Solids) | - |
dc.subject.other | Organic compounds | - |
dc.title | Synthesis, characterization, crystal structures and computational studies on novel cyrhetrenyl hydrazones | - |
dc.type | info:eu-repo/semantics/article | - |
dc.type | info:eu-repo/semantics/acceptedVersion | - |
dc.identifier.idgrec | 663341 | - |
dc.date.updated | 2020-06-02T11:47:03Z | - |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | - |
Appears in Collections: | Articles publicats en revistes (Mineralogia, Petrologia i Geologia Aplicada) |
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File | Description | Size | Format | |
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663341.pdf | 1.16 MB | Adobe PDF | View/Open |
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