15 research outputs found
A Spin-Frustrated Trinuclear Copper Complex Based on Triaminoguanidine with an Energetically Well-Separated Degenerate Ground State
We
present the synthesis and crystal structure of the trinuclear copper
complex [Cu<sub>3</sub>(saltag)Â(bpy)<sub>3</sub>]ÂClO<sub>4</sub>·3DMF
[H<sub>5</sub>saltag = trisÂ(2-hydroxybenzylidene)Âtriaminoguanidine;
bpy = 2,2′-bipyridine]. The complex crystallizes in the trigonal
space group <i>R</i>3Ì…, 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