Hexanuclear iron(III) alpha-aminophosphonate: synthesis, structure, and magnetic properties of a molecular wheel

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Publikace nespadá pod Ústav výpočetní techniky, ale pod Přírodovědeckou fakultu. Oficiální stránka publikace je na webu muni.cz.
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DOROSHENKO Iaroslav BABIAK Michal BUCHHOLZ Axel TUČEK Jiří PLASS Winfried PINKAS Jiří

Rok publikování 2018
Druh Článek v odborném periodiku
Časopis / Zdroj New Journal of Chemistry
Fakulta / Pracoviště MU

Přírodovědecká fakulta

Citace
www http://dx.doi.org/10.1039/c7nj03606j
Doi http://dx.doi.org/10.1039/c7nj03606j
Klíčová slova iron; phosphonate; hexanuclear; Moessbauer spectroscopy;antiferromagnetic coupling
Popis A new hexanuclear molecular iron phosphonate complex, [Fe-6(HAIPA)(12)(OH)(6)]center dot nH(2)O (1 center dot n(2)O) (H(2)AIPA = NH2(CH3)(2)CP(O)(OH)(2), (2-aminopropan-2-yl) phosphonic acid), was synthesized from Fe2+ and Fe3+ salts in water by interaction with the ligand salts. Addition of corresponding amounts of sodium or tetramethylammonium salts of H2AIPA to the solution of iron precursors led to the formation of large bright-green crystals of complex 1. Isolated products were studied by spectroscopic and analytical methods -IR, Mossbauer spectroscopy, TG/DSC, ICP-OES, and CHN analysis. A novel {Fe-6} hexanuclear molecular structure of 1 was confirmed by single crystal X-ray diffraction analysis. An octahedral coordination environment of iron cations is formed by phosphonate and hydroxo oxygens. Twelve phosphonate groups and six -OH groups act as bridging ligands and bind six Fe octahedra. Because of protonation of the amino group, the phosphonate anions coordinate in the zwitterionic form as HAIPA(-) (NH3+(CH3)(2)CPO32-). The iron cations are present in the form of high-spin Fe3+, which was confirmed by the bond valence sum (BVS) calculations and the Fe-57 Mossbauer spectra. The magnetic measurements show antiferromagnetic coupling between the iron centers with decreasing temperature.
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