The susceptibility of the large transition-metal cluster [Mn19O12-(MOE) (14)(MOEH)(10)]center dot MOEH (MOE = OC2H2O-CH3) has been fitted through classical Monte Carlo simulation, and an estimation of the exchange coupling constants has been done. With these results, it has been possible to perform a full-matrix diagonalization of the cluster core, which was used to provide information on the nature of the low-lying levels.
Validity of the classical Monte Carlo method to model the magnetic properties of a large transition-metal cluster: Mn-19 / LIMA N; CANESCHI A.; GATTESCHI D; KRITIKOS M; WESTIN L.G.. - In: INORGANIC CHEMISTRY. - ISSN 0020-1669. - STAMPA. - 45:(2006), pp. 2391-2393. [10.1021/ic051936h]
Validity of the classical Monte Carlo method to model the magnetic properties of a large transition-metal cluster: Mn-19
CANESCHI, ANDREA;GATTESCHI, DANTE;
2006
Abstract
The susceptibility of the large transition-metal cluster [Mn19O12-(MOE) (14)(MOEH)(10)]center dot MOEH (MOE = OC2H2O-CH3) has been fitted through classical Monte Carlo simulation, and an estimation of the exchange coupling constants has been done. With these results, it has been possible to perform a full-matrix diagonalization of the cluster core, which was used to provide information on the nature of the low-lying levels.File | Dimensione | Formato | |
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