Redox Modulation Of Field-Induced Tetrathiafulvalene-Based Single-Molecule Magnets Of Dysprosium

MAGNETOCHEMISTRY(2020)

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摘要
The complexes [Dy-2(tta)(6)(H(2)SQ)] (Dy-H(2)SQ) and [Dy-2(tta)(6)(Q)]center dot 2CH(2)Cl(2) (Dy-Q) (tta(-) = 2-thenoyltrifluoroacetonate) were obtained from the coordination reaction of the Dy(tta)(3)center dot 2H(2)O units with the 2,2'-benzene-1,4-diylbis(6-hydroxy-4,7-di-tert-buty1-1,3-benzodithio1-2-ylium-5-olate ligand (H(2)SQ) and its oxidized form 2,2'-cyclohexa-2,5-diene-1,4-diylidenebis(4,7-di-tert-butyl-1,3-benzodithiole-5,6-dione (Q). The chemical oxidation of H(2)SQ in Q induced an increase in the coordination number from 7 to 8 around the Dy-III ions and by consequence a modulation of the field-induced Single-Molecule Magnet behavior. Computational results rationalized the magnetic properties of each of the dinuclear complexes.
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关键词
Dysprosium, tetrathiafulvalene, Redox-Modulation, single molecule magnets, ab initio calculations
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