Covalent Co-O-V and Sb-N Bonds Enable Polyoxovanadate Charge Control

Maren Rasmussen, Christian Näther, Jan Van Leusen, Paul Kögerler, Lyuben Zhechkov, Thoma Heine, Wolfgang Bensch

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Abstract

The formation of [{CoII(teta)2}{CoII2(tren)(teta)2}VIV15SbIII6O42(H2O)]·ca.9H2O [teta = triethylenetetraamine; tren = tris(2-aminoethyl)amine] illustrates a strategy toward reducing the molecular charge of polyoxovanadates, a key challenge in their use as components in single-molecule electronics. Here, a V-O-Co bond to a binuclear Co2+-centered complex and a Sb-N bond to the terminal N atom of a teta ligand of a mononuclear Co2+ complex allow for full charge compensation of the archetypal molecular magnet [V15Sb6O42(H2O)]6-. Density functional theory based electron localization function analysis demonstrates that the Sb-N bond has an electron density similar to that of a Sb-O bond. Magnetic exchange coupling between the VIV and CoII spin centers mediated via the Sb-N bridge is comparably weakly antiferromagnetic.

Original languageEnglish
Pages (from-to)7120-7126
Number of pages7
JournalInorganic Chemistry
Volume56
Issue number12
DOIs
Publication statusPublished - 2017 Jun 19

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All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

Cite this

Rasmussen, M., Näther, C., Van Leusen, J., Kögerler, P., Zhechkov, L., Heine, T., & Bensch, W. (2017). Covalent Co-O-V and Sb-N Bonds Enable Polyoxovanadate Charge Control. Inorganic Chemistry, 56(12), 7120-7126. https://doi.org/10.1021/acs.inorgchem.7b00724