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 SM ISO690:2012BORRAS-ALMENAR, Juan Jose, CLEMENTE-JUAN, Juan, CORONADO, Eugenio, TSUKERBLAT, Boris S.. High nuclearity mixed-valence magnetic clusters: Theoretical study of the spin coupling in the C602- fulleride ion. In: Chemical Physics Letters, 1998, vol. 283, pp. 363-367. ISSN 0009-2614. DOI: https://doi.org/10.1016/S0009-2614(97)01389-4 |
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  Chemical Physics Letters |
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| Volumul 283 / 1998 / ISSN 0009-2614 /ISSNe 1873-4448 | ||||||
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| DOI:https://doi.org/10.1016/S0009-2614(97)01389-4 | ||||||
| Pag. 363-367 | ||||||
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The problem of delocalization of a pair of electrons over the fullerene C60 is considered, with the aim of elucidating the nature of the ground spin state, as well as the structure of the low-lying energy levels in this mixed-valence molecule C602-. A model that considers the Coulomb interactions between the two extra electrons, as well as the two single-electron transfer processes involved in the electron delocalization, is developed. The influence of these electronic parameters on the spectrum of the low-lying energy levels is discussed. We find that the ground state is always a spin singlet, whatever the relative values of these parameters are. |
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| Cuvinte-cheie valence, mixed valence, spintronics |
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