VO(IV) Complexes of Bis(imidazol-2-yl) Derivatives: A Potentiometric, Spectroscopic and DFT Study. (Articolo in rivista)

Type
Label
  • VO(IV) Complexes of Bis(imidazol-2-yl) Derivatives: A Potentiometric, Spectroscopic and DFT Study. (Articolo in rivista) (literal)
Anno
  • 2007-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1002/ejic.200700502 (literal)
Alternative label
  • K. Várnagy, T. Csorba, D. Kiss, E. Garribba, G. Micera, D. Sanna (2007)
    VO(IV) Complexes of Bis(imidazol-2-yl) Derivatives: A Potentiometric, Spectroscopic and DFT Study.
    in European journal of inorganic chemistry (Print)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • K. Várnagy, T. Csorba, D. Kiss, E. Garribba, G. Micera, D. Sanna (literal)
Pagina inizio
  • 4884 (literal)
Pagina fine
  • 4896 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url
  • http://onlinelibrary.wiley.com/doi/10.1002/ejic.200700502/abstract (literal)
Rivista
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Department of Inorganic and Analytical Chemistry, University of Debrecen, 4010 Debrecen, Hungary Department of Chemistry, University of Sassari, Via Vienna 2, 07100 Sassari, Italy, Fax: +39-079-212069 Istituto C.N.R. di Chimica Biomolecolare, Trav. La Crucca 3, 07040 Li Punti, Sassari, Italy (literal)
Titolo
  • VO(IV) Complexes of Bis(imidazol-2-yl) Derivatives: A Potentiometric, Spectroscopic and DFT Study. (literal)
Abstract
  • The complexation of the VIVO ion with four amino acid derivatives of bis(imidazol-2-yl)methylamine [N-glycyl-bis(imidazol-2-yl)methylamine = Gly-BIMA, N-?-aspartyl-bis(imidazol-2-yl)methylamine = ?-Asp-BIMA, N-?-glutamyl-bis(imidazol-2-yl)methylamine = ?-Glu-BIMA and N-histidyl-bis(imidazol-2-yl)methylamine = His-BIMA] was studied in aqueous solution through the combined application of potentiometric and spectroscopic (UV/Vis and EPR) techniques. For comparison, the complexing capability of three simple bis(imidazol-2-yl) derivatives [bis(imidazol-2-yl)methane = BIM, bis(imidazol-2-yl)methylamine = BIMA and bis(imidazol-2-yl)nitromethane = BINM] and two benzyloxycarbonyl (Z) derivatives (Z-Gly-BIMA and Z-Ala-BIMA) was reported. Mono- and bis-chelated species with the (Nim, Nim) donor set were formed in both acid and neutral pH conditions, with the bis-chelated complexes being characterised by a cis-trans isomerism. In the basic pH range the complexation process continues with the formation of a mono-hydroxo cis-VOL2H-1 complex in systems with BIM, BIMA and BINM, and with the deprotonation and coordination of the amide nitrogen to give VOLH-1 and VOLH-2 in those with Gly-BIMA, ?-Asp-BIMA, ?-Glu-BIMA and His-BIMA. The results demonstrate that the bis(imidazol-2-yl)methyl residue is an anchoring group of intermediate strength, capable of avoiding extensive hydrolysis of the VIVO ion in the presence of a slight excess of ligand (L/M from 3:1 to 5:1). DFT calculations with progressively more complex basis sets were performed in order to obtain information on the structure of the VOLH-1 and VOLH-2 complexes. Finally, a discussion on the 51V anisotropic parallel hyperfine coupling constant (A?) of VOLH-1 and VOLH-2 and on the EPR properties connected to the V-N-(amide) bond in VIVO complexes is presented. (literal)
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