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- Title
Triggering the Sign of Magnetic Exchange Coupling in a Dinuclear Copper(II) Complex by Solvent Molecule Coordination.
- Authors
Shcherbakov, Igor N.; Levchenkov, Sergey I.; Tupolova, Yulia P.; Popov, Leonid D.; Vlasenko, Valery G.; Zubavichus, Yan V.; Lukov, Vladimir V.; Kogan, Victor A.
- Abstract
The magnetic properties of a dinuclear copper(II) complex of the Schiff base ligand bis( N, N′-3-formylsalicylidene)-1,3-diaminopropan-2-ol (H3L) with an exogenous acetate bridging group, [Cu2L(CH3COO)] ( 2), and the product of its crystallization from dimethyl sulfoxide (DMSO) solution, [Cu2L(CH3COO)(DMSO)] ( 3), are studied experimentally and theoretically. The coordination of a DMSO molecule triggers exchange coupling from antiferromagnetic in 2 (2 J = -94.8 cm-1) to ferromagnetic in 3 (2 J = +121 cm-1). A combination of experimental data [XRD, X-ray absorption spectroscopy (XAS)] and the results of DFT calculations with a broken-symmetry approach show that the different magnetic behaviour of 2 and 3 is explained by a different conformation of the dinuclear unit, which is 'symmetric' in 2 and roof-shaped in 3. The role of the DMSO molecule in exchange-coupling sign inversion is limited to the stabilisation of the roof-shaped conformation of the complex.
- Subjects
COPPER bonding; COPPER spectra; LIGANDS (Chemistry); LIGANDS spectra; ANTIFERROMAGNETIC materials; METAL compounds synthesis
- Publication
European Journal of Inorganic Chemistry, 2013, Vol 2013, Issue 28, p5033
- ISSN
1434-1948
- Publication type
Article
- DOI
10.1002/ejic.201300670