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Title: V IV O and V IV Species Formed in Aqueous Solution by the Tridentate Glutaroimide–Dioxime Ligand – An Instrumental and Computational Characterization

Abstract

Complexation of V IV in aqueous solution with glutaroimide–dioxime (H 3 L), a ligand proposed for the possible sequestration of uranium from seawater, was studied by the combined application of spectroscopic (EPR and UV/Vis), spectrometric (ESI‐MS), electrochemical (CV), and computational (DFT) techniques. The results indicate that a rare non‐oxido V IV species, with formula [V IV L 2 ] 2– , is formed in the pH range 3–5. It transforms into a usual V IV O complex, [V IV OL(OH)] 2– , at pH > 6. The non‐oxido species is characterized by a “ type 3 ” EPR spectrum with A z ≈ 126 × 10 –4 cm –1 and a UV/Vis signal with ε > 2000 m –1  cm –1 in the visible region. The detection of V V species by ESI‐MS spectrometry was related to two possible oxidation processes, the first one in solution and the second one in‐source during the recording of the spectra. The cyclic voltammogram of [V IV L 2 ] 2– shows two quasi‐reversible processes, at E 1/2 = –0.75 V and E 1/2 = 0.03 V, assigned to the V IV /V III reduction and V IV /V V oxidation, respectively. All themore » experimental results were verified by DFT calculations, which indicated that the geometry of the non‐oxido V IV complex is intermediate between an octahedron and a trigonal prism and allowed us to predict its 51 V hyperfine coupling (HFC) tensor A , the electron absorption spectrum, the two redox processes in the cyclic voltammogram, and the electronic structure that, in turn, determines its EPR and UV/Vis behavior.« less

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [4]; ORCiD logo [5];  [5]; ORCiD logo [4]; ORCiD logo [5]; ORCiD logo [2]
+ Show Author Affiliations
  1. Istituto CNR di Chimica Biomolecolare Trav. La Crucca 3 07040 Sassari Italy
  2. Dipartimento di Chimica e Farmacia Università di Sassari Via Vienna 2 07100 Sassari Italy
  3. Dipartimento di Chimica e Farmacia Università di Sassari Via Vienna 2 07100 Sassari Italy, Departament de Química Universitat Autònoma de Barcelona Cerdanyola del Vallés 08193 Barcelona Spain
  4. Chemical Sciences Division Lawrence Berkeley National Laboratory 1 Cyclotron Road 94720 Berkeley CA United States, Department of Chemistry University of California 94720 Berkeley CA United States
  5. Chemical Sciences Division Lawrence Berkeley National Laboratory 1 Cyclotron Road 94720 Berkeley CA United States
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1436363
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
European Journal of Inorganic Chemistry
Additional Journal Information:
Journal Name: European Journal of Inorganic Chemistry Journal Volume: 2018 Journal Issue: 17; Journal ID: ISSN 1434-1948
Publisher:
Wiley Blackwell (John Wiley & Sons)
Country of Publication:
Germany
Language:
English

Citation Formats

Sanna, Daniele, Ugone, Valeria, Sciortino, Giuseppe, Parker, Bernard F., Zhang, Zhicheng, Leggett, Christina J., Arnold, John, Rao, Linfeng, and Garribba, Eugenio. V IV O and V IV Species Formed in Aqueous Solution by the Tridentate Glutaroimide–Dioxime Ligand – An Instrumental and Computational Characterization. Germany: N. p., 2018. Web. doi:10.1002/ejic.201800090.
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Sanna, Daniele, Ugone, Valeria, Sciortino, Giuseppe, Parker, Bernard F., Zhang, Zhicheng, Leggett, Christina J., Arnold, John, Rao, Linfeng, & Garribba, Eugenio. V IV O and V IV Species Formed in Aqueous Solution by the Tridentate Glutaroimide–Dioxime Ligand – An Instrumental and Computational Characterization. Germany. https://doi.org/10.1002/ejic.201800090
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Sanna, Daniele, Ugone, Valeria, Sciortino, Giuseppe, Parker, Bernard F., Zhang, Zhicheng, Leggett, Christina J., Arnold, John, Rao, Linfeng, and Garribba, Eugenio. Fri . "V IV O and V IV Species Formed in Aqueous Solution by the Tridentate Glutaroimide–Dioxime Ligand – An Instrumental and Computational Characterization". Germany. https://doi.org/10.1002/ejic.201800090.
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@article{osti_1436363,
title = {V IV O and V IV Species Formed in Aqueous Solution by the Tridentate Glutaroimide–Dioxime Ligand – An Instrumental and Computational Characterization},
author = {Sanna, Daniele and Ugone, Valeria and Sciortino, Giuseppe and Parker, Bernard F. and Zhang, Zhicheng and Leggett, Christina J. and Arnold, John and Rao, Linfeng and Garribba, Eugenio},
abstractNote = {Complexation of V IV in aqueous solution with glutaroimide–dioxime (H 3 L), a ligand proposed for the possible sequestration of uranium from seawater, was studied by the combined application of spectroscopic (EPR and UV/Vis), spectrometric (ESI‐MS), electrochemical (CV), and computational (DFT) techniques. The results indicate that a rare non‐oxido V IV species, with formula [V IV L 2 ] 2– , is formed in the pH range 3–5. It transforms into a usual V IV O complex, [V IV OL(OH)] 2– , at pH > 6. The non‐oxido species is characterized by a “ type 3 ” EPR spectrum with A z ≈ 126 × 10 –4 cm –1 and a UV/Vis signal with ε > 2000 m –1  cm –1 in the visible region. The detection of V V species by ESI‐MS spectrometry was related to two possible oxidation processes, the first one in solution and the second one in‐source during the recording of the spectra. The cyclic voltammogram of [V IV L 2 ] 2– shows two quasi‐reversible processes, at E 1/2 = –0.75 V and E 1/2 = 0.03 V, assigned to the V IV /V III reduction and V IV /V V oxidation, respectively. All the experimental results were verified by DFT calculations, which indicated that the geometry of the non‐oxido V IV complex is intermediate between an octahedron and a trigonal prism and allowed us to predict its 51 V hyperfine coupling (HFC) tensor A , the electron absorption spectrum, the two redox processes in the cyclic voltammogram, and the electronic structure that, in turn, determines its EPR and UV/Vis behavior.},
doi = {10.1002/ejic.201800090},
journal = {European Journal of Inorganic Chemistry},
number = 17,
volume = 2018,
place = {Germany},
year = {Fri May 04 00:00:00 EDT 2018},
month = {Fri May 04 00:00:00 EDT 2018}
}
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journal, January 2012

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  • Dalton Transactions, Vol. 41, Issue 24
  • DOI: 10.1039/c2dt12503j

Single-Pot Conversion of Methane into Acetic Acid in the Absence of CO and with Vanadium Catalysts Such as Amavadine
journal, February 2003

  • Reis, Patrícia M.; Silva, José A. L.; Palavra, António F.
  • Angewandte Chemie International Edition, Vol. 42, Issue 7
  • DOI: 10.1002/anie.200390219

V IV O complexes with antibacterial quinolone ligands and their interaction with serum proteins
journal, January 2018

  • Sanna, Daniele; Ugone, Valeria; Sciortino, Giuseppe
  • Dalton Transactions, Vol. 47, Issue 7
  • DOI: 10.1039/C7DT04216G
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