The nature of the chemical bond in trinuclear oxo carboxylates containing {FeIII2MIIO} cores vs. their spectral properties

Turta Constantin; Spataru Tudor; Vrezhmashu V.

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TURTA, 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

Volumul 46 / 2001 / ISSN 0035-3930

The nature of the chemical bond in trinuclear oxo carboxylates containing {Fe^III₂M^IIO} cores vs. their spectral properties

Pag. 861-871

Turta Constantin, Spataru Tudor, Vrezhmashu V.

Institute of Chemistry of the Academy of Sciences of Moldova

Disponibil în IBN: 30 august 2023

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Quantum chemical analysis of the electronic structure and some spectral characteristics for iron mixed metal trinuclear oxo carboxylates [Fe^III₂M^IIO(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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