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SM ISO690:2012 OSTROVSKY, Sergei M., KLOKISHNER, Sophia I.. Modeling of Electron Transfer in a Linear Trinuclear Fe-Co-Fe Complex: Magnetic and Polarizability Properties. In: Journal of Physical Chemistry A, 2020, nr. 18(124), pp. 3618-3625. ISSN 1089-5639. DOI: https://doi.org/10.1021/acs.jpca.0c01717 |
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Journal of Physical Chemistry A | |||||
Numărul 18(124) / 2020 / ISSN 1089-5639 /ISSNe 1520-5215 | |||||
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DOI: https://doi.org/10.1021/acs.jpca.0c01717 | |||||
Pag. 3618-3625 | |||||
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Rezumat | |||||
A microscopic approach to the problem of charge transfer-induced spin transitions in a system of interacting trinuclear Fe-Co-Fe clusters, which takes into account the switching of polarization during the transformation FelsII-ColsIII-FelsIII→ FelsIII-CohsII-FelsIII (ls - low spin, hs - high spin), has been developed. The cooperative electron-deformational and dipole-dipole interactions and the intracluster electron transfer have been proved to govern the observed significant changes in the magnetic and polarization characteristics of the examined system. The role of intra- and intercluster interactions in the spin transformation has been elucidated. On the basis of the developed approach, an explanation of the temperature dependence of the magnetic susceptibility and of the polar-nonpolar transformation in the {[FeTp(CN)3]2Co(Meim)4}·6H2O compound in response to thermal stimuli has been given. Copyright |
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Cuvinte-cheie Charge transfer, Cobalt alloys, Cobalt compounds, Electron transitions, Iron compounds, magnetic susceptibility, magnetism, polarization, Temperature distribution, ternary alloys |
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