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DC Field | Value | Language |
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dc.contributor.author | Tomé, Maria | - |
dc.contributor.author | Grabulosa, Arnald | - |
dc.contributor.author | Rocamora, Mercè | - |
dc.contributor.author | Aullón López, Gabriel | - |
dc.contributor.author | Font Bardia, Ma. Mercedes | - |
dc.contributor.author | Calvet Pallàs, Maria Teresa | - |
dc.contributor.author | López Martínez, Ma. Concepción | - |
dc.date.accessioned | 2019-10-04T17:15:44Z | - |
dc.date.available | 2019-10-04T17:15:44Z | - |
dc.date.issued | 2019-09-27 | - |
dc.identifier.issn | 2073-4344 | - |
dc.identifier.uri | http://hdl.handle.net/2445/141740 | - |
dc.description.abstract | The study of the reactivity of three 2-phenyl-3H-indole ligands of general formulae C8H3N-2-(C6H4-4-R1)-3-NOMe-5-R2 (1) [with R1 = H, R2 = OMe (a); R1 = R2 = H (b) or R1 = Cl, R2 = H (c)] with [Pd(η3-1-R3C3H4)(μ-Cl)]2 (R3 = H or Ph) has allowed us to isolate two sets of new Pd(II)-allyl complexes of general formulae [Pd(η3-1-R3C3H4)(1)Cl] {R3 = H (2) or Ph (3)}. Compounds 2a-2c and 3a-3c were characterized by elemental analyses, mass spectrometry and IR spectroscopy. The crystal structures of 2a, 3a and 3b were also determined by X-ray diffraction. 1H-NMR studies reveal the coexistence of two (for 2a-2c) or three (for 3a-3c) isomeric forms in CD2Cl2 solutions at 182 K. Additional studies on the catalytic activity of mixtures containing [Pd(η3-C3H5)(μ-Cl)]2 and the parent ligand (1a-1c) in the allylic alkylation of (E)-3-phenyl-2-propenyl (cinnamyl) acetate with sodium diethyl 2-methylmalonate as well as the stoichiometric reaction between compounds 3a and 3c with the nucleophile reveal that in both cases the formation of the linear trans- derivative is strongly preferred over the branched product. Computational studies at a DFT level on compound 3a allowed us to compare the relative stability of their isomeric forms present in solution and to explain the regioselectivity of the catalytic and stoichiometric processes. | - |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | - |
dc.publisher | MDPI | - |
dc.relation.isformatof | Reproducció del document publicat a: https://doi.org/10.3390/catal9100811 | - |
dc.relation.ispartof | Catalysts, 2019, vol. 9, num. 10, p. 811 | - |
dc.relation.uri | https://doi.org/10.3390/catal9100811 | - |
dc.rights | cc-by (c) Tomé, Maria et al., 2019 | - |
dc.rights.uri | http://creativecommons.org/licenses/by/3.0/es | - |
dc.source | Articles publicats en revistes (Química Inorgànica i Orgànica) | - |
dc.subject.classification | Catàlisi homogènia | - |
dc.subject.classification | Lligands | - |
dc.subject.classification | Compostos orgànics | - |
dc.subject.other | Homogeneous catalysis | - |
dc.subject.other | Ligands | - |
dc.subject.other | Organic compounds | - |
dc.title | Synthesis, characterization, solution behavior and theoretical studies of Pd(II) Allyl Complexes with 2-Phenyl-3H-indoles as ligands | - |
dc.type | info:eu-repo/semantics/article | - |
dc.type | info:eu-repo/semantics/publishedVersion | - |
dc.identifier.idgrec | 691796 | - |
dc.date.updated | 2019-10-04T17:15:44Z | - |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | - |
Appears in Collections: | Articles publicats en revistes (Química Inorgànica i Orgànica) |
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691796.pdf | 2.22 MB | Adobe PDF | View/Open |
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