Tetrathiafulvalene-Based Helicene Ligand in the Design of a Dysprosium Field-Induced Single-Molecule Magnet Article Swipe

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Chemistry Helicene Tetrathiafulvalene Dysprosium Single-molecule magnet Ab initio Crystallography Magnet Molecule Ligand (biochemistry) Magnetic anisotropy Ab initio quantum chemistry methods Pyridine Magnetic field Magnetization Inorganic chemistry Organic chemistry Biochemistry Physics Receptor Quantum mechanics

Fabrice Pointillart , Jiangkun Ouyang , Guglielmo Fernandez Garcia , Vincent Montigaud , Jessica Flores González , Rémi Marchal , Ludovic Favereau , Federico Totti , Jeanne Crassous , Olivier Cador , Lahcène Ouahab , Boris Le Guennic ·

YOU? · · 2018 · Open Access · · DOI: https://doi.org/10.1021/acs.inorgchem.8b02830 · OA: W2904291814

The design of a coordination complex that involves a ligand combining both a tetrathiafulvalene core and a helicene fragment was achieved thanks to the reaction between the new 2-{1-[2-methyl[6]helicene]-4,5-[4,5-bis(propylthio)tetrathiafulvalenyl]-1 H-benzimidazol-2-yl}pyridine ligand (L) and the Dy(hfac)3·2H2O metalloprecursor. Magnetic investigations showed field-induced single-molecule-magnet (SMM) behavior under an applied magnetic field of 1000 Oe for [Dy(hfac)3(L)]·0.5CH2Cl2, while experimentally oriented single-crystal magnetic measurements allowed for determination of the magnetic anisotropy orientation. The magnetic behavior was rationalized through ab initio CASSCF/SI-SO calculations. This redox-active chiral-field-induced SMM paves the way for the design of switchable-multiproperty SMMs.