Статья
2018

Quantum-Chemical Analysis of the Electron Transfer Mechanism in Model System MgNbF7 + 12MgCl2 by the Method of Frontier Molecular Orbitals

V. G. Kremenetsky V. G. Kremenetsky , S. A. Kuznetsov S. A. Kuznetsov
Российский электрохимический журнал
https://doi.org/10.1134/S1023193518090069
Abstract / Full Text
Kremenetsky, V.G., Kuznetsov, S.A. Quantum-Chemical Analysis of the Electron Transfer Mechanism in Model System MgNbF7 + 12MgCl2 by the Method of Frontier Molecular Orbitals. Russ J Electrochem 54, 676–682 (2018). https://doi.org/10.1134/S1023193518090069

By the example of quantum-chemical analysis of the model system MgNbF7 + 12MgCl2, the possibilities of the method of frontier molecular orbitals in studying the mechanism of electron transfer in molten salts are demonstrated. The rich information provided by this method allows recommending it as a tool for testing the hypotheses on the mechanism of charge transfer in electrochemical systems.

Author information

  • Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials, Cola Science Center, Russian Academy of Sciences, Apatity, 184209, Russia

    V. G. Kremenetsky & S. A. Kuznetsov

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