15 research outputs found

    A Spin-Frustrated Trinuclear Copper Complex Based on Triaminoguanidine with an Energetically Well-Separated Degenerate Ground State

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    We present the synthesis and crystal structure of the trinuclear copper complex [Cu<sub>3</sub>(saltag)­(bpy)<sub>3</sub>]­ClO<sub>4</sub>·3DMF [H<sub>5</sub>saltag = tris­(2-hydroxybenzylidene)­triaminoguanidine; bpy = 2,2′-bipyridine]. The complex crystallizes in the trigonal space group <i>R</i>3̅, with all copper ions being crystallographically equivalent. Analysis of the temperature dependence of the magnetic susceptibility shows that the triaminoguanidine ligand mediates very strong antiferromagnetic interactions (<i>J</i><sub>CuCu</sub> = −324 cm<sup>–1</sup>). Detailed analysis of the magnetic susceptibility and magnetization data as well as X-band electron spin resonance spectra, all recorded on both powdered samples and single crystals, show indications of neither antisymmetric exchange nor symmetry lowering, thus indicating only a very small splitting of the degenerate <i>S</i> = <sup>1</sup>/<sub>2</sub> ground state. These findings are corroborated by density functional theory calculations, which explain both the strong isotropic and negligible antisymmetric exchange interactions
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