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Influence of π stacking on the magnetic properties of the copper(II) complex with 6-phenyl-3-(2-pyridyl)-5-trifluoroacetylmethylidene-4,5-dihydro-1,2,4-triazine

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Abstract

The new N,N,O-ligand 6-phenyl-3-(2-pyridyl)-5-(trifluoroacetylmethylidene)-4,5-dihydro-1,2,4-triazine (L) was synthesized, and its complex with CuII was prepared. The structure of the complex was established by X-ray diffraction. Magnetic measurements and ESR studies were carried out. Ab initio calculations of the electronic structure, exchange interactions, and the effective magnetic moment were performed. The intrastack polarization effect between the π states of 1,2,4-triazine and the d states of copper was revealed and numerically validated.

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Authors and Affiliations

  1. Ural State Technical University, 19 ul. Mira, 620002, Ekaterinburg, Russian Federation

    A. M. Prokhorov, V. L. Rusinov & O. N. Chupakhin

  2. I. Ya. Postovsky Institute of Organic Synthesis, Ural Branch of the Russian Academy of Sciences, 22 ul. S. Kovalevskoi, 620219, Ekaterinburg, Russian Federation

    D. N. Kozhevnikov & O. N. Chupakhin

  3. N. S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, 31 Leninsky prosp., 119991, Moscow, Russian Federation

    G. G. Aleksandrov

  4. Institute of Metal Physics, Ural Branch of the Russian Academy of Sciences, 18 ul. S. Kovalevskoi, 620041, Ekaterinburg, Russian Federation

    Yu. N. Shvachko, D. V. Starichenko, A. V. Korolev, D. V. Bukhvalov & V. V. Ustinov

Authors
  1. A. M. Prokhorov
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  2. D. N. Kozhevnikov
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  3. V. L. Rusinov
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  4. O. N. Chupakhin
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  5. G. G. Aleksandrov
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  6. Yu. N. Shvachko
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  7. D. V. Starichenko
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  8. A. V. Korolev
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  9. D. V. Bukhvalov
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  10. V. V. Ustinov
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Corresponding author

Correspondence to V. L. Rusinov.

Additional information

Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 3, pp. 549–554, March, 2008.

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Prokhorov, A.M., Kozhevnikov, D.N., Rusinov, V.L. et al. Influence of π stacking on the magnetic properties of the copper(II) complex with 6-phenyl-3-(2-pyridyl)-5-trifluoroacetylmethylidene-4,5-dihydro-1,2,4-triazine. Russ Chem Bull 57, 561–566 (2008). https://doi.org/10.1007/s11172-008-0087-7

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  • DOI: https://doi.org/10.1007/s11172-008-0087-7

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