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Please use this identifier to cite or link to this item: https://olympias.lib.uoi.gr/jspui/handle/123456789/9839
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dc.contributor.authorNikolakis, V. A.en
dc.contributor.authorTsalavoutis, J. T.en
dc.contributor.authorStylianou, M.en
dc.contributor.authorEvgeniou, E.en
dc.contributor.authorJakusch, T.en
dc.contributor.authorMelman, A.en
dc.contributor.authorSigalas, M. P.en
dc.contributor.authorKiss, T.en
dc.contributor.authorKeramidas, A. D.en
dc.contributor.authorKabanos, T. A.en
dc.date.accessioned2015-11-24T16:52:10Z-
dc.date.available2015-11-24T16:52:10Z-
dc.identifier.issn0020-1669-
dc.identifier.urihttps://olympias.lib.uoi.gr/jspui/handle/123456789/9839-
dc.rightsDefault Licence-
dc.subjectdensity-functional theoryen
dc.subjectmodeling supramolecular interactionsen
dc.subjectperturbation-theory approachen
dc.subjectsolid-stateen
dc.subjectmetal-complexesen
dc.subjectin-vitroen
dc.subjectaqueous chemistryen
dc.subjectreverse micellesen
dc.subjectspectroscopic characterizationen
dc.subjectdependent haloperoxidasesen
dc.titleVanadium(V) Compounds with the Bis-(hydroxylamino)-1,3,5-triazine Ligand, H(2)bihyat: Synthetic, Structural, and Physical Studies of [V(2)(V)O(3)(bihyat)(2)] and of the Enhanced Hydrolytic Stability Species cis-[V(V)O(2)(bihyat)](-)en
heal.typejournalArticle-
heal.type.enJournal articleen
heal.type.elΆρθρο Περιοδικούel
heal.identifier.primaryDoi 10.1021/Ic801411x-
heal.identifier.secondary<Go to ISI>://000261510100031-
heal.identifier.secondaryhttp://pubs.acs.org/doi/pdfplus/10.1021/ic801411x-
heal.languageen-
heal.accesscampus-
heal.recordProviderΠανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείαςel
heal.publicationDate2008-
heal.abstractReaction of the ligand 2,6-bis[hydroxy(methyl)amino]-4-morpholino-1,3,5-triazine (H(2)bihyat) with NaV(V)O(3) in aqueous solution followed by addition of either Ph(4)PCl or C(NH(2))(3)Cl, respectively, gave the mononuclear vanadium(V) compounds Ph(4)P[V(V)O(2)(bihyat)] center dot 1.5H(2)O (1) and C(NH(2))(3)[V(V)O(2)(bihyat)] (2). Treatment of V(IV)OSO(4) center dot 5H(2)O with the ligand H(2)bihyat in methyl alcohol under specific conditions gave the oxo-bridged dimer [V(2)(V)O(2)(mu(2)-O)(bihyat)(2)] (3). The structures for 1 and 3 were determined by X-ray crystallography and indicate that these compounds have distorted square-pyramidal arrangement around vanadium. The ligand bihyat(2-) is bonded to vanadium atom in a tridentate fashion at the pyridine-like nitrogen atom and the two deprotonated hydroxylamino oxygen atoms. The high electron density of the triazine ring nitrogen atoms, which results from the resonative contribution of electrons of exocyclic nitrogen atoms (Scheme 4), leads to very strong V-N bonds. The cis-[V(V)O(2)(bihyat)](-) species exhibits high hydrolytic stability in aqueous solution over a wide pH range, 3.3-11.0, as it was evidenced by (1)H and (51)V NMR spectroscopy and potentiometry. The high affinity of the H(2)bihyat ligand for the V(V)O(2)(+) unit, its tridentate character, as well as its small size, paves the way for potential applications in medicine, analysis, and catalysis for the C(NH(2))(3)[V(V)O(2)(bihyat)] compound. The molecular structures, vibrational and electronic spectra, and the energetics of the metal-ligand interaction for compounds 1 and 3 have been studied by means of density functional calculations.en
heal.publisherAmerican Chemical Societyen
heal.journalNameInorg Chemen
heal.journalTypepeer reviewed-
heal.fullTextAvailabilityTRUE-
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