Iron(III) bis(pyrazol-1-yl)acetate based decanuclear metallacycles: synthesis, structure, magnetic properties and DFT calculations
The synthesis, structural aspects, magnetic interpretation and theoretical rationalizations for a new member of the ferric wheel family, a decanuclear iron(III) complex with the formula [Fe10(bdtbpza)10(μ2-OCH3)20] (1), featuring the N,N,O tridentate bis(3,5-di-tert-butylpyrazol-1-yl)acetate ligand, are reported. The influence of the steric effect on both the core geometry and coordination mode is observed. Temperature dependent (2.0–300 K range) magnetic susceptibility studies carried out on complexes 1 established unequivocally antiferromagnetic (AF) interactions between high-spin iron(III) centers (S = 5/2), leading to a ground state S = 0. The mechanism of AF intramolecular coupling was…
CCDC 1469220: Experimental Crystal Structure Determination
Related Article: Małgorzata J. Gajewska, Alina Bieńko, Radovan Herchel, Matti Haukka, Maria Jerzykiewicz, Andrzej Ożarowski, Krzysztof Drabent, Chen-Hsiung Hung|2016|Dalton Trans.|45|15089|doi:10.1039/C6DT02333A