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Electronic Structure and Magnetic Properties of Mixed-Ligand Cobalt Complexes Containing Organogermanium Triangulenes

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Abstract

Computational modeling of cobalt(II) diketonate adducts with o-benzoquinones modified with organogermanium triangular cycles of different size has been performed using the density functional theory method. Energy characteristics of the isomers of the investigated compounds have been found to be determined by the substituents in terminal diketone ligands. Paramagnetism of all the states of the studied molecules has been predicted. The systems, magnetic properties of which can be switched as a result of intramolecular electron transfer between the cobalt ion and the ligand, have been revealed.

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Funding

This study was financially supported by the Ministry of Science and Higher Education of Russian Federation (State assignment in the field of scientific activity, project no. 0852-2020-0031).

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Authors and Affiliations

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

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

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  1. M. G. Chegerev
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  2. A. A. Starikova
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  4. V. I. Minkin
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Correspondence to A. A. Starikova.

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Chegerev, M.G., Starikova, A.A., Starikov, A.G. et al. Electronic Structure and Magnetic Properties of Mixed-Ligand Cobalt Complexes Containing Organogermanium Triangulenes. Russ J Gen Chem 90, 2312–2322 (2020). https://doi.org/10.1134/S1070363220120142

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