Please use this identifier to cite or link to this item: http://hdl.handle.net/2445/163709
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dc.contributor.authorAlbert Mach, Joan-
dc.contributor.authorBosque Pueyo, Ramón-
dc.contributor.authorD'Andrea Rodríguez-Vida, Lucía-
dc.contributor.authorDurán, J.A.-
dc.contributor.authorGranell Sanvicente, Jaime Ramón-
dc.contributor.authorBardia, Ma. Mercedes-
dc.contributor.authorCalvet Pallàs, Maria Teresa-
dc.date.accessioned2020-06-02T11:27:17Z-
dc.date.available2020-06-02T11:27:17Z-
dc.date.issued2016-05-06-
dc.identifier.issn0022-328X-
dc.identifier.urihttp://hdl.handle.net/2445/163709-
dc.description.abstractReaction of methyl (E)-4-(benzylideneamino)benzoate C6H5CH=N(C6H4-4-CO2Me) with Pd(OAc)(2) produced the dinuclear acetato bridge ortho-cyclopalladated compound [Pd{C6H4CH=N(C6H4-4-CO2Me)-kappa C-ortho,kappa(N)}](2)(mu-OAc)(2) (1). Compounds [Pd{C6H4CH=N(C6H4-4-CO2Me)-kappa C-ortho,kappa(N)}](2)(mu-Cl)(2) (2) and [Pd {C6H4CH] N(C6H4-4-CO2Me)-kappa C-ortho,kappa(N)}(py)(X)] [3 (X = OAc); 4 (X = Cl)] were also prepared and isolated in good yields by substitution reactions. H-1 and C-13{H-1} NMR in CDCl3 solution of compounds 3 and 4 revealed that they consisted of a mixture of trans-and cis-N,N isomers. Addition of pyridine-d(5) to solutions of 1 and 2 in CDCl3 in a molar ratio pyridine-d(5)/1 or 2 approximate to 50-55 gave solutions A and B, respectively, which contained compounds 5 and 6 analogous to 3 and 4, but with pyridine-d(5) rather than pyridine in their structural formula. In these solutions, the trans-and cis-N,N geometrical isomers of compounds 5 and 6 were interconverting between them in a dynamic equilibrium. In addition, an exchange between free and coordinated pyridine-d(5) was also taking place in solutions A and B. The NMR data for solution A showed that the dynamic equilibrium between the cis-and trans-N,N isomers of compound 5 was shifted to the trans-N,N isomer. However, the NMR data for solution B suggested that in this solution the equilibrium between the cis- and trans-N,N isomers of compound 6 was shifted to the cis-N,N isomer. Interconversion between the trans- and cis-N,N isomers of compounds 5 and 6 in solutions A and B plausibly proceeded through the intermediate ionic complexes [Pd{C6H4CH] N(C6H4-4CO(2)Me)-kappa C-ortho,kappa(N)}(py-d(5))(2)]X [7 (X = OAc), 8 (X = Cl)]. Ionic complexes 7 and 8 were not observed in CDCl3 solution but were the major species in D2O solutions containing compounds 1 and 2 and pyridine-d(5) in a molar ratio pyridine-d(5)/1 or 2 approximate to 50-55. The crystal structure of the adduct 1.2(CH3COOH) and that of compound 2 were determined by single crystal X-ray diffraction. A theoretical study on the difference in free Gibbs energy in CHCl3 solution between the cis-and trans-N,N isomers of compounds 3 and 4 is also included in this work.-
dc.format.extent26 p.-
dc.format.mimetypeapplication/pdf-
dc.language.isoeng-
dc.publisherElsevier B.V.-
dc.relation.isformatofVersió postprint del document publicat a: https://doi.org/10.1016/j.jorganchem.2016.05.003-
dc.relation.ispartofJournal of Organometallic Chemistry, 2016, vol. 815-816, p. 44-52-
dc.relation.urihttps://doi.org/10.1016/j.jorganchem.2016.05.003-
dc.rightscc-by-nc-nd (c) Elsevier B.V., 2016-
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es-
dc.subject.classificationCristal·lografia-
dc.subject.classificationEstructura cristal·lina (Sòlids)-
dc.subject.classificationCompostos organometàl·lics-
dc.subject.otherCrystallography-
dc.subject.otherLayer structure (Solids)-
dc.subject.otherOrganometallic compounds-
dc.titleSynthesis and crystal structure of the dinuclear cyclopalladated compounds of methyl (E)-4-(benzylideneamino)benzoate with acetato and chlorido bridge ligands: Study of their splitting reactions with pyridine-
dc.typeinfo:eu-repo/semantics/article-
dc.typeinfo:eu-repo/semantics/acceptedVersion-
dc.identifier.idgrec662230-
dc.date.updated2020-06-02T11:27:17Z-
dc.rights.accessRightsinfo:eu-repo/semantics/openAccess-
Appears in Collections:Articles publicats en revistes (Mineralogia, Petrologia i Geologia Aplicada)

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