Email this article Quantum-Chemical Analysis of the Electron Transfer Mechanism in Model System MgNbF7 + 12MgCl2 by the Method of Frontier Molecular Orbitals
- Authors: Kremenetsky V.G.1, Kuznetsov S.A.1
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Affiliations:
- Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials, Cola Science Center
- Issue: Vol 54, No 9 (2018)
- Pages: 676-682
- Section: Article
- URL: https://journal-vniispk.ru/1023-1935/article/view/189466
- DOI: https://doi.org/10.1134/S1023193518090069
- ID: 189466
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Abstract
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.
About the authors
V. G. Kremenetsky
Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials, Cola Science Center
Email: kuznet@chemy.kolasc.net.ru
Russian Federation, Apatity, 184209
S. A. Kuznetsov
Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials, Cola Science Center
Author for correspondence.
Email: kuznet@chemy.kolasc.net.ru
Russian Federation, Apatity, 184209
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