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 SM ISO690:2012TURTA, Constantin, SPATARU, Tudor, VREZHMASHU, V.. The nature of the chemical bond in trinuclear oxo carboxylates containing {FeIII2MIIO} cores vs. their spectral properties. In: Revue Roumaine de Chimie, 2001, vol. 46, pp. 861-871. ISSN 0035-3930. |
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  Revue Roumaine de Chimie |
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| Volumul 46 / 2001 / ISSN 0035-3930 | ||||||
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| Pag. 861-871 | ||||||
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Quantum chemical analysis of the electronic structure and some spectral characteristics for iron mixed metal trinuclear oxo carboxylates [FeIII2MIIO(O2CCR)6L 3], where M=Mn, Fe, Co, and Ni; L=3-Cl-Py, Py or H2O and R=CH3 or CF3 were performed. The obtained values are presented in comparison with those for the [Fe3O(OAc)6(H2O)3]+ cation, and are in good agreement with experimental Mossbauer spectra. The analysis of the electronic structure permits to put into evidence general features observed also in IR and electronic spectra. |
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