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dc.contributor.authorTriantafillou, G. D.en
dc.contributor.authorTolis, E. I.en
dc.contributor.authorTerzis, A.en
dc.contributor.authorDeligiannakis, Y.en
dc.contributor.authorRaptopoulou, C. P.en
dc.contributor.authorSigalas, M. P.en
dc.contributor.authorKabanos, T. A.en
dc.date.accessioned2015-11-24T16:42:16Z-
dc.date.available2015-11-24T16:42:16Z-
dc.identifier.issn0020-1669-
dc.identifier.urihttps://olympias.lib.uoi.gr/jspui/handle/123456789/8528-
dc.rightsDefault Licence-
dc.subjectelectron-spin-echoen
dc.subjectenvelope modulation spectroscopyen
dc.subjecteffective core potentialsen
dc.subjectmetal-bindingen
dc.subjectvanadium bromoperoxidaseen
dc.subjectparamagnetic-resonanceen
dc.subjectray-structureen
dc.subjectactive-siteen
dc.subjectstructural-characterizationen
dc.subjectmolecular calculationsen
dc.titleMonomeric oxovanadium(IV) compounds of the general formula cis-[V-IV(=O)(X)(L-NN)2](+/0) {X = OH-, Cl-, SO42- and L-NN = 2,2 '-Bipyridine (Bipy) or 4,4 '-disubstituted bipy}en
heal.typejournalArticle-
heal.type.enJournal articleen
heal.type.elΆρθρο Περιοδικούel
heal.identifier.primaryDoi 10.1021/Ic034440d-
heal.identifier.secondary<Go to ISI>://000187971500012-
heal.identifier.secondaryhttp://pubs.acs.org/doi/pdfplus/10.1021/ic034440d-
heal.languageen-
heal.accesscampus-
heal.recordProviderΠανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείαςel
heal.publicationDate2004-
heal.abstractReaction of [(VOCl2)-O-IV(THF)(2)] in aqueous solution with 2 equiv of AgBF4 or AgSbF6 and then with 2 equiv of 2,2'-bipyridine (bipy), 4,4'-di-tert-butyl-2,2'-bipyridine (4,4'-dtbipy), or 4,4'-di-methyl-2,2'-bipyridine (4,4'-dmbipy) affords compounds of the general formula cis-[(VO)-O-IV(OH)(L-NN)(2)]Y {where L-NN = bipy, Y = BF4(-) (1), L-NN = 4,4'-dtbipy, Y = BF4(-) (2.1.2H(2)O), L-NN = 4,4'-dmbipy, Y = BF4(-) (3.2H(2)O), and L-NN = 4,4'-dtbipy, Y = SbF6- (4)}. Sequential addition of 1 equiv of Ba(ClO4)(2) and then of 2 equiv of bipy to an aqueous solution containing 1 equiv of (VOSO4)-O-IV.5H(2)O yields cis-[(VO)-O-IV(OH)(bipy)(2)]ClO4 (5). The monomeric compounds 1-5 contain the cis-[(VO)-O-IV(OH)](+) structural unit. Reaction of 1 equiv Of (VOSO4)-O-IV.5H(2)O in water and of 1 equiv Of [(VOCl2)-O-IV(THF)(2)] in ethanol with 2 equiv of bipy gives the compounds cis-[(VO)-O-IV(OSO3)(bipy)(2)].CH3OH.1.5H(2)O (6.CH3OH.1.5H(2)O) and cis-[(VOCl)-O-IV(bipy)(2)]Cl (7), respectively, while reaction of 1 equiv of [(VOCl2)-O-IV(THF)(2)] in CH2Cl2 with 2 equiv of 4,4'-dtbipy gives the compound cis-[(VOCl)-O-IV(4,4'-dtbipy)(2)]Cl.0.5CH(2)Cl(2) (8.0.5CH(2)Cl(2)). Compounds cis-[(VO)-O-IV(BF4)(4,4'-dtbipy)(2)]BF4 (9), cis-[(VO)-O-IV(BF4)(4,4'-dmbipy)(2)]BF4 (10), and cis-[(VO)-O-IV(SbF6)(4,4'-dtbipy)(2)]SbF6 (11) were synthesized by sequential addition of 2 equiv of 4,4'-dtbipy or 4,4'-dmbipy and 2 equiv of AgBF4 or AgSbF6 to a dichloromethane solution containing 1 equiv of [(VOCl2)-O-IV(THF)(2)]. The crystal structures of 2.1.2H(2)O, 6.CH3OH.1.5H(2)O, and 8.0.5CH(2)Cl(2) were demonstrated by X-ray diffraction analysis. Crystal data are as follows: Compound 2.1.2H(2)O crystallizes in the orthorhombic space group Pbca with (at 298 K) a = 21.62(1) Angstrom, b = 13.33(1) Angstrom, c = 27.25(2) Angstrom, V = 7851(2) Angstrom(3), Z = 8. Compound 6.CH3OH.1.5H(2)O crystallizes in the monoclinic space group P2(1)/a with (at 298 K) a = 12.581(4) Angstrom, b = 14.204(5) Angstrom, c = 14.613(6) Angstrom, beta = 11 4.88(1)degrees, V = 2369(1), Z = 4. Compound 8.0.5CH(2)Cl(2) crystallizes in the orthorhombic space group Pca2(1) with (at 298 K) a = 23.072(2) Angstrom, b = 24.176(2) Angstrom, c = 13.676(1) Angstrom, V = 7628(2) Angstrom(3), Z = 8 with two crystallographically independent molecules per asymmetric unit. In addition to the synthesis and crystallographic studies, we report the optical, infrared, magnetic, conductivity, and CW EPR properties of these oxovanadium(IV) compounds as well as theoretical studies on [(VO)-O-IV(bipy)(2)](2+) and [(VOX)-O-IV(bipy)(2)](+/0) species (X = OH-, SO42-, Cl-).en
heal.publisherAmerican Chemical Societyen
heal.journalNameInorg Chemen
heal.journalTypepeer reviewed-
heal.fullTextAvailabilityTRUE-
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