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Influence of non-bridging donor atoms on the value of exchange interaction in binuclear CuII complexes with bis-hydrazones based on 2,6-diformylphenol

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Abstract

The quantum chemical simulation of exchange interaction according to the broken symmetry approach was performed for a series of binuclear CuII complexes containing the asymmetric exchange moiety based on bis-hydrazones of 2,6-diformylphenol. The calculated values were compared between themselves and with the experimental values of the exchange parameter 2J for the binuclear copper(II) complexes with bis-hydrazones based on 2,6-diformylphenol in order to reveal the influence pattern of the nature of nonbridging donor atoms X (O, N, S, and Se) onto the exchange interaction. The strength of exchange interaction of the antiferromagnetic type depends significantly on the nature of nonbridging donor atoms, increasing in the series of X = O, NH, S, and Se.

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Authors and Affiliations

  1. Southern Federal University, 7 ul. Zorge, 344060, Rostov-on-Don, Russian Federation

    I. N. Shcherbakov & S. I. Levchenkov

  2. Southern Scientific Center, Russian Academy of Sciences, 41 ul. Chehova, 344006, Rostov-on-Don, Russian Federation

    S. I. Levchenkov

Authors
  1. I. N. Shcherbakov
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  2. S. I. Levchenkov
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Correspondence to I. N. Shcherbakov.

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Based on the materials of the XXVII International Chugaev Conference on the Coordination Chemistry (October 2–6, 2017; Nizhny Novgorod, Russia).

Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 7, pp. 1167–1172, July, 2018.

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Shcherbakov, I.N., Levchenkov, S.I. Influence of non-bridging donor atoms on the value of exchange interaction in binuclear CuII complexes with bis-hydrazones based on 2,6-diformylphenol. Russ Chem Bull 67, 1167–1172 (2018). https://doi.org/10.1007/s11172-018-2197-1

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  • DOI: https://doi.org/10.1007/s11172-018-2197-1

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