6533b854fe1ef96bd12af334

RESEARCH PRODUCT

Tri- and tetranuclear heteropivalate complexes with core {Fe2Ni O} (x = 1, 2): Synthesis, structure, magnetic and thermal properties

Igor L. EremenkoIgor L. EremenkoAndrey V. KhoroshilovAlexander S. GoloveshkinYurii V. MaksimovEva RentschlerMikhail A. KiskinNikolay N. EfimovYulia V. NelyubinaYulia V. NelyubinaV. K. ImshennikAleksey A. SidorovI. A. LutsenkoEkaterina M. Zueva

subject

chemistry.chemical_classification010405 organic chemistryThermal decomposition010402 general chemistry01 natural sciencesMagnetic susceptibility0104 chemical sciencesCoordination complexInorganic ChemistryCrystallographychemistryOctahedronSuperexchangeMaterials ChemistryAntiferromagnetismDensity functional theoryPhysical and Theoretical ChemistrySingle crystal

description

Abstract The reactions of complex [Fe2Ni(O)(Piv)6(Et2O)(H2O)2] (1) with 1,10-phenanthroline (phen) and 2,2′-bipyridine (bpy) gave the following new coordination compounds: the trinuclear complex [Fe2Ni(O)(Piv)6(phen)H2O]·(C2H5)2O (2), the tetranuclear ones [Fe2Ni2(OH)2(Piv)8(phen)2] (3) and [Fe2Ni2(OH)2(Piv)8(bpy)2] (4), depending on the crystallization conditions. According to single crystal X-ray diffraction data, all the compounds have molecular structures. The Mossbauer spectra of 1–3 correspond to high-spin Fe3+ ions in an octahedral environment consisting of oxygen atoms. The DC magnetic susceptibility studies and quantum-chemical analysis of intra- and intermolecular J pathways using broken-symmetry density functional theory (DFT) showed that all exchange interactions in tri- (1, 2) and tetranuclear (3) complexes are antiferromagnetic. The exchange coupling is weaker in 3 due to the lower ability of the bridging OH-groups to mediate superexchange. Thermal destruction processes have been studied for 2 and 3. The final products of thermolysis are the mixed oxide NiFe2O4.

yearjournalcountryeditionlanguage
2019-02-01Polyhedron
https://doi.org/10.1016/j.poly.2018.12.018