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New RuII(arene) complexes with halogen-substituted bis- and tris(pyrazol-1-YL)borate ligands

2014-03Journal article Open access
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dc.contributor.authorOrbisaglia, Serena
dc.contributor.authorDi Nicola, Corrado
dc.contributor.authorMarchetti, Fabio
dc.contributor.authorPettinari, Riccardo
dc.contributor.authorMartins, Luisa
dc.contributor.authorAlegria, Elisabete
dc.contributor.authorGuedes Da Silva, M. Fátima C.
dc.contributor.authorRocha, Bruno G. M.
dc.contributor.authorKuznetsov, Maxim L.
dc.contributor.authorPombeiro, Armando
dc.contributor.authorSkelton, Brian
dc.contributor.authorSobolev, Alexandre
dc.contributor.authorWhite, Allan H.
dc.date.accessioned2015-08-24T13:29:48Z
dc.date.available2015-08-24T13:29:48Z
dc.date.issued2014-03
dc.description.abstract[RuCl(arene)(-Cl)](2) dimers were treated in a 1:2 molar ratio with sodium or thallium salts of bis- and tris(pyrazolyl)borate ligands [Na(BpBr3)], [Tl(TpBr3)], and [Tl(Tp(iPr,4Br))]. Mononuclear neutral complexes [RuCl(arene)((2)-BpBr3)] (1: arene=p-cymene (cym); 2: arene=hexamethylbenzene (hmb); 3: arene=benzene (bz)), [RuCl(arene)((2)-TpBr3)] (4: arene=cym; 6: arene=bz), and [RuCl(arene)((2)-Tp(iPr,4Br))] (7: arene=cym, 8: arene=hmb, 9: arene=bz) have been always obtained with the exception of the ionic [Ru-2(hmb)(2)(-Cl)(3)][TpBr3] (5), which formed independently of the ratio of reactants and reaction conditions employed. The ionic [Ru(CH3OH)(cym)((2)-BpBr3)][X] (10: X=PF6, 12: X=O3SCF3) and the neutral [Ru(O2CCF3)(cym)((2)-BpBr3)] (11) have been obtained by a metathesis reaction with corresponding silver salts. All complexes 1-12 have been characterized by analytical and spectroscopic data (IR, ESI-MS, H-1 and (CNMR)-C-13 spectroscopy). The structures of the thallium and calcium derivatives of ligand TpBr3, [Tl(TpBr3)] and [Ca(dmso)(6)][TpBr3](2)2DMSO, of the complexes 1, 4, 5, 6, 11, and of the decomposition product [RuCl(cym)(Hpz(iPr,4Br))(2)][Cl] (7) have been confirmed by using single-crystal X-ray diffraction. Electrochemical studies showed that 1-9 and 11 undergo a single-electron (RuRuIII)-Ru-II oxidation at a potential, measured by cyclic voltammetry, which allows comparison of the electron-donor characters of the bis- and tris(pyrazol-1-yl)borate and arene ligands, and to estimate, for the first time, the values of the Lever E-L ligand parameter for BpBr3, TpBr3, and Tp(iPr,4Br). Theoretical calculations at the DFT level indicated that both oxidation and reduction of the Ru complexes under study are mostly metal-centered with some involvement of the chloride ligand in the former case, and also demonstrated that the experimental isolation of the (3)-binuclear complex 5 (instead of the mononuclear 5) is accounted for by the low thermodynamic stability of the latter species due to steric reasons.por
dc.identifier.citationORBISAGLIA, Serena; [et al] – New RuII(Arene) Complexes with Halogen-Substituted Bis- and Tris(Pyrazol-1-YL)Borate ligands. Chemistry-A European Journal. ISSN: 0947-6539. Vol. 20, nr. 13 (2104), pp. 3689-3704por
dc.identifier.doi10.1002/chem.201304406
dc.identifier.issn0947-6539
dc.identifier.issn1521-3765
dc.identifier.urihttp://hdl.handle.net/10400.21/4952
dc.language.isoengpor
dc.peerreviewedyespor
dc.publisherWiley-V C H Verlag GMBHpor
dc.subjectArenespor
dc.subjectBoratespor
dc.subjectDensity functional calculationspor
dc.subjectLigandspor
dc.subjectRutheniumpor
dc.titleNew RuII(arene) complexes with halogen-substituted bis- and tris(pyrazol-1-YL)borate ligandspor
dc.typejournal article
dspace.entity.typePublication
oaire.citation.endPage3704por
oaire.citation.issue13por
oaire.citation.startPage3689por
oaire.citation.titleChemistry-A European Journalpor
oaire.citation.volume20por
person.familyNameDi Nicola
person.familyNamePettinari
person.familyNameMartins
person.familyNameAlegria
person.familyNameGuedes da Silva
person.familyNameRocha
person.familyNameKuznetsov
person.familyNamePombeiro
person.familyNameSkelton
person.familyNameSobolev
person.givenNameCorrado
person.givenNameRiccardo
person.givenNameLuisa
person.givenNameElisabete
person.givenNameM. Fátima C.
person.givenNameBruno G. M.
person.givenNameMaxim L.
person.givenNameArmando
person.givenNameBrian
person.givenNameAlexandre
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rcaap.rightsclosedAccesspor
rcaap.typearticlepor
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