A new one-dimensional cyanide-based coordination polymer comprising Sm(III) and octacyanomolybdate(V) building blocks was prepared and characterized through single-crystal X-ray diffraction and elemental analyses. The new compound consisted of one-dimensional chains of [Sm(terpy)(DMF)4] [Mo(CN)8] (complex 1) (terpy: 2,2′:6′,2′′-terpyridine; DMF: N,N-dimethylformamide), where each Mo(CN)8 entity served as a bis-monodentate bridging ligand of two Sm(III) ions alternately through two of its six cyanide groups at cis positions. The corresponding chains were formed by hydrogen bonds, and van der Waals interactions to form a two-dimensional supramolecular structure that stabilized the entire molecule. Considering all the intermolecular interactions during the simplification procedure, we obtained a description of the molecular packing. The calculation results indicated that the underlying net corresponds to a new topology with the following point symbol {337.468.530.6}{38.42}. Density functional theory studies were also performed to elucidate the electronic structure within the entire complex. The good luminescence of the complex makes it a suitable material for construction of photoluminescent materials, to explore the intrinsic optical properties of lanthanides, and in sensing for detection of different hazardous/explosive materials.

中文翻译：

---

基于 Sm(III) 和八氰基钼酸盐 (V) 构建块的一维链络合物的合成、结构拓扑、DFT 和光致发光特性

制备了一种包含 Sm(III) 和八氰基钼酸盐 (V) 结构单元的新型一维氰化物基配位聚合物，并通过单晶 X 射线衍射和元素分析对其进行了表征。新化合物由一维链组成 [Sm(terpy)(DMF)4] [Mo(CN)8]（复合物 1）（terpy: 2,2':6',2''-terpyridine; DMF: N,N-二甲基甲酰胺），其中每个 Mo(CN)8 实体充当两个 Sm(III) 离子的双单齿桥接配体，交替通过其顺式位置的六个氰化物基团中的两个。相应的链是由氢键和范德华相互作用形成的二维超分子结构，稳定了整个分子。考虑到简化过程中的所有分子间相互作用，我们获得了分子堆积的描述。计算结果表明，底层网络对应于具有以下点符号{337.468.530.6}{38.42}的新拓扑。还进行了密度泛函理论研究，以阐明整个复合物中的电子结构。该配合物良好的发光性使其成为构建光致发光材料、探索镧系元素的固有光学特性以及检测不同危险/爆炸性材料的合适材料。