Dîrtu Marinela M, Boland Yves, Gillard Damien, Tinant Bernard, Robeyns Koen, Safin Damir A, Devlin Eamonn, Sanakis Yiannis, Garcia Yann
Institute of Condensed Matter and Nanosciences, Université Catholique de Louvain, Molecules, Solids and Reactivity (IMCN/MOST), Place L. Pasteur, 1, Louvain-la-Neuve 1348, Belgium.
Int J Mol Sci. 2013 Dec 3;14(12):23597-613. doi: 10.3390/ijms141223597.
The crystal structures of two mononuclear Cu(II) NH2trz complexes Cu(NH2trz)4(H2O)2 (I) and Cu(NH2trz)4(H2O)2 (II) as well as two coordination polymers [Cu(μ2-NH2trz)2Cl]Cl∙H2O (III) and [Cu(μ2-NH2trz)2Cl] (SiF6)0.5∙1.5H2O (IV) are presented. Cationic 1D chains with bridging bis-monodentate μ2-coordinated NH2trz and bridging μ2-coordinated chloride ligands are present in III and IV. In these coordination polymers, the Cu(II) ions are strongly antiferromagnetically coupled with J=-128.4 cm(-1) for III and J=-143 cm(-1) for IV (H=-JΣSiSi+1), due to the nature of the bridges between spin centers. Inter-chain interactions present in the crystal structures were taken into consideration, as well as g factors, which were determined experimentally, for the quantitative modeling of their magnetic properties.
本文给出了两种单核铜（II）氨基三唑配合物Cu(NH2trz)4(H2O)2（I）和Cu(NH2trz)4(H2O)2（II）以及两种配位聚合物[Cu(μ2-NH2trz)2Cl]Cl∙H2O（III）和Cu(μ2-NH2trz)2Cl0.5∙1.5H2O（IV）的晶体结构。在III和IV中存在带有桥连双单齿μ2配位氨基三唑和桥连μ2配位氯配体的阳离子一维链。在这些配位聚合物中，由于自旋中心之间桥连的性质，铜（II）离子通过J = -128.4 cm(-1)（对于III）和J = -143 cm(-1)（对于IV）（H = -JΣSiSi + 1）发生强反铁磁耦合。晶体结构中存在的链间相互作用以及通过实验测定的g因子被考虑在内，用于对其磁性质进行定量建模。
