Abstract

A heterobimetallic 3d–4f complex [Cu(L)Dy(NO₃)₃] based on a symmetric salamo-like ligand (H₂L) was synthesized and characterized by elemental analyses, IR, UV-Vis spectroscopy, and single-crystal X-ray diffraction. The complex crystallized in the monoclinic, space group P 2₁/c, included one tetra-coordinated Cu(II) atom (Cu1), one deca-coordinated Dy(III) atom (Dy1), one completely deprotonated (L)²⁻ unit, and three nitrate groups involved in coordination. Cu1 adopted a planar quadrilateral configuration, and Dy1 formed a slightly distorted double-cap square antiprism geometry. The complex finally formed an infinite 2D and 3D supramolecular structure via the intermolecular hydrogen bonds and π–π interactions. Due to the paramagnetism of Cu²⁺ ions, the complex showed fluorescence quenching. The electronic structure and stability of the complex were proved by density functional theory (DFT) calculation.

合成了基于对称salamo状配体（H ₂ L）的异双金属3d–4f络合物[Cu（L）Dy（NO ₃）₃ ]，并通过元素分析，IR，UV-Vis光谱和单晶进行了表征X射线衍射。在单斜空间群P 2 ₁ / c中结晶的复合物包括一个四配位的Cu（II）原子（Cu1），一个十配位的Dy（III）原子（Dy1），一个完全去质子化的（L）^2-部门和三个硝酸盐基团参与协调。Cu1采用平面四边形配置，而Dy1形成了稍微变形的双帽方形反棱镜几何形状。最终，该复合物通过分子间氢键和π-π相互作用形成了无限的2D和3D超分子结构。由于Cu ²⁺离子的顺磁性，该络合物显示出荧光猝灭。通过密度泛函理论（DFT）计算证明了该配合物的电子结构和稳定性。