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Dinuclear Cobalt and Iron Complexes with an Azomethine Derivative of 1,10-Phenanthroline: A Quantum-Chemical Study

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Abstract

Geometries, energies, and magnetic characteristics of dinuclear cobalt and iron complexes with 5,6-bis(salicylideneimino)-1,10-phenanthroline have been studied by the density functional theory method (DFT UTPSSh/6-311++G(d,p)). Complexes containing two magnetically active moieties capable of exhibiting spin crossover and valence tautomerism have been constructed by completing the metal coordination sphere with ancillary ligands. These effects provide for the variation of spin states in a wide range, which gives the studied compounds properties of molecular switches and spin qubits.

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Funding

The work was supported by the Russian Science Foundation (project no. 14–13–00573).

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Authors and Affiliations

  1. Research Institute of Physical and Organic Chemistry, Southern Federal University, 344090, Rostov-on-Don, Russia

    A. A. Starikova, M. G. Chegerev, A. G. Starikov &  V. I. Minkin

Authors
  1. A. A. Starikova
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  2. M. G. Chegerev
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  3. A. G. Starikov
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  4. V. I. Minkin
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Corresponding author

Correspondence to A. A. Starikova.

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Translated by G. Kirakosyan

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Starikova, A.A., Chegerev, M.G., Starikov, A.G. et al. Dinuclear Cobalt and Iron Complexes with an Azomethine Derivative of 1,10-Phenanthroline: A Quantum-Chemical Study. Dokl Chem 487, 168–172 (2019). https://doi.org/10.1134/S0012500819070036

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  • DOI: https://doi.org/10.1134/S0012500819070036

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