Abstract

A structurally novel Cd(II) coordination polymer (CP), [Cd(H₂L)₂(NCS)₂]_n, has been self-assembled from a newly designed salamo-like ligand H₂L bearing double terminal pyridine groups, Cd(II) and KSCN. The Cd(II) ion is not located in the N₂O₂ cavity of the ligand H₂L and forms a six-coordinate octahedral geometrical configuration. Using Cd(II) ion as a node, the undeprotonated salamo-like ligand H₂L units extend in space to give a Cd(II)CP with a 2D pore structure. Spectroscopic analysis of the ligand H₂L and its Cd(II)CP is performed using IR, UV-Vis and fluorescence spectroscopy. Various short-range interactions in the Cd(II)CP are investigated on the basis of Hirshfeld surfaces analysis.

中文翻译：

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新型Cd（II）吡啶-末端萨拉莫样配位聚合物的分子结构和实验计算表征的观点

摘要

结构新颖的Cd（II）配位聚合物（CP）[Cd（H ₂ L）₂（NCS）₂ ] _n是由新设计的带有双末端吡啶基团的salamo状配体H ₂ L自组装而成的， Cd（II）和KSCN。Cd（II）离子不位于配体H ₂ L的N ₂ O ₂腔中，并形成六坐标的八面体几何构型。使用Cd（II）离子作为结点，未去质子化的Salamo状配体H ₂ L单元在空间中延伸，得到具有2D孔结构的Cd（II）CP。配体H _2的光谱分析L及其Cd（II）CP使用IR，UV-Vis和荧光光谱法进行。基于Hirshfeld表面分析研究了Cd（II）CP中的各种短程相互作用。