Electronic structure and properties of the {Fe3O}- and {Fe2CoO}-based μ3-oxoacetates
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TURTA, Constantin, SPATARI, F., VREZHMASHU, V., ZHOVMIR, F., PALADE, Petru, FILOTI, George. Electronic structure and properties of the {Fe3O}- and {Fe2CoO}-based μ3-oxoacetates. In: Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya, 1999, vol. 25, pp. 780-784. ISSN -.
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Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya
Volumul 25 / 1999 / ISSN - /ISSNe 1070-3284

Electronic structure and properties of the {Fe3O}- and {Fe2CoO}-based μ3-oxoacetates


Pag. 780-784

Turta Constantin1, Spatari F.1, Vrezhmashu V.1, Zhovmir F.1, Palade Petru2, Filoti George2
 
1 Institute of Chemistry of the Academy of Sciences of Moldova,
2 National Institute of Physics and Technologies of Materials, Bucharest
 
 
Disponibil în IBN: 6 septembrie 2023


Rezumat

The Mössbauer, electronic, and IR spectroscopic data were invoked to carry out comparative analysis of the electronic structures and spectroscopic characteristics of the [Fe2CoO(CH3COO)6(3-Cl-Py)3] cluster (I) and [Fe3O(CH3COO)6(H2O) 3]+ cation (II) by the IEHM method. The formal electronic configuration of the cobalt ion in the ground state of the heteronuclear complex is dπ 4 dxy 1(dx2-y2)1 (dz2)1. The calculated Mössbauer parameters of the iron(III) ions in I and II agree with the experimental values δNa+ = 0.68, ΔEQ = 0.89 mm s-1 for I and δNa+ = 0.75, ΔEQ = 0.58 mm s-1 for II. The relationship between the compositions, electronic structures, and parameters of IR and electronic spectra of I and II is discussed.