Please use this identifier to cite or link to this item: http://hdl.handle.net/2445/128170
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dc.contributor.authorFerrer García, Montserrat-
dc.contributor.authorGomez-Bautista, Daniel-
dc.contributor.authorGutiérrez i Currius, Albert-
dc.contributor.authorOrduña Marco, Guillermo-
dc.contributor.authorOro, Luis A.-
dc.contributor.authorPérez Torrente, Jesús J.-
dc.contributor.authorRossell Alfonso, Oriol-
dc.contributor.authorRuiz Sabín, Eliseo-
dc.date.accessioned2019-02-12T13:27:02Z-
dc.date.available2019-02-12T13:27:02Z-
dc.date.issued2016-02-08-
dc.identifier.issn0276-7333-
dc.identifier.urihttp://hdl.handle.net/2445/128170-
dc.description.abstractNew titanocene pyridinethiolate compounds [(RCp)(2)Ti(4-Spy)(2)] (R = H (1), Me (2); Cp = cyclo-pentadienyl; 4-Spy = pyridine-4-thiolate) and [Cp2Ti(2-Spy)(2)] (3; 2-Spy = pyridine-2-thiolate) have been prepared by reaction of the corresponding Li(Spy) salt with the appropriate compound [(RCp)(2)TiCl2]. Compounds 1 and 2 have been used as metalloligands in self-assembly reactions with the acceptor late-transition-metal compounds [M(H2O)(2)(dppp)]-(OTf)(2) (M = Pd (a) Pt (b); dppp = 1,3-bis-(diphenylphosphino)propane), and the series of early-late tetranuclear metallamacrocycles [{(RCp)(2)Ti(4-Spy)(2)}{M-(dppp)}](2)(OTf)(4) (R = H, M = Pd (1(2)a(2)); R = H, M = Pt (1(2)b(2)); R = Me, M = Pd (2(2)a(2)); R = Me, M = Pt (2(2)b(2))) arising from the anti isomer of the titanocene metalloligands have been obtained. Only ligand transfer reactions from Ti to either Pd or Pt atoms have been observed when the pyridine-2-thiolate derivative 3 has been assayed in self-assembly processes. The obtained species have been characterized by NMR spectroscopy and ESI(+) mass spectrometry. The supramolecular assemblies have shown to be nonrigid in solution, and their fluxional behavior has been studied by VT H-1 NMR spectroscopy. A DFT study including ab initio molecular dynamics in order to elucidate the structures and the relative stability of the isomers has been performed.-
dc.format.extent34 p.-
dc.format.mimetypeapplication/pdf-
dc.language.isoeng-
dc.publisherAmerican Chemical Society-
dc.relation.isformatofVersió postprint del document publicat a: https://doi.org/10.1021/acs.organomet.5b00876-
dc.relation.ispartofOrganometallics, 2016, vol. 35, num. 3, p. 336-345-
dc.relation.urihttps://doi.org/10.1021/acs.organomet.5b00876-
dc.rights(c) American Chemical Society , 2016-
dc.sourceArticles publicats en revistes (Química Inorgànica i Orgànica)-
dc.subject.classificationLligands-
dc.subject.classificationMetalls-
dc.subject.classificationEspectroscòpia de ressonància magnètica nuclear-
dc.subject.classificationEspectrometria de masses amb ionització per electroesprai-
dc.subject.classificationQuímica supramolecular-
dc.subject.otherLigands-
dc.subject.otherMetals-
dc.subject.otherNuclear magnetic resonance spectroscopy-
dc.subject.otherElectrospray ionization mass spectrometry-
dc.subject.otherSupramolecular chemistry-
dc.titlePyridinethiolate titanocene metalloligands and their self-assembly reactions to yield early-late metallamacrocycles-
dc.typeinfo:eu-repo/semantics/article-
dc.typeinfo:eu-repo/semantics/acceptedVersion-
dc.identifier.idgrec667001-
dc.date.updated2019-02-12T13:27:02Z-
dc.rights.accessRightsinfo:eu-repo/semantics/openAccess-
Appears in Collections:Articles publicats en revistes (Química Inorgànica i Orgànica)
Articles publicats en revistes (Institut de Química Teòrica i Computacional (IQTCUB))

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