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镧(III)和钐(III)与4,4'-联吡啶和二溴乙酸酯的等结构聚合物阶梯配合物的晶体结构、 Hirshfeld表面及热研究

Crystal Structures, Hirshfeld Surfaces, and Thermal Study of Isostructural Polymeric Ladders of La(III) and Sm(III) Coordination Compounds with 4,4'-Bipyridine and Dibromoacetates.

作者信息

Czylkowska Agnieszka, Pietrzak Anna, Szczesio Małgorzata, Rogalewicz Bartłomiej, Wojciechowski Jakub

机构信息

Institute of General and Ecological Chemistry, Faculty of Chemistry, Lodz University of Technology, Zeromskiego 116, 90-924 Lodz, Poland.

出版信息

Materials (Basel). 2020 Sep 25;13(19):4274. doi: 10.3390/ma13194274.

Abstract

Two novel mixed ligand complexes with general formula [M(4,4'-bpy)(CBrHCOO)(HO)] (where 4,4'-bpy = 4,4'-bipyridine) were synthesized. Thermal analysis was used to describe a solid intermediate and final products of thermolysis. A coupled TG-MS system was used to monitor principal volatile fragments evolved during pyrolysis. Crystal structures of the complexes were determined. Cationic dinuclear M (M(III) = La, Sm) coordination cores were obtained. Both crystal structures are isostructural. Single crystal X-ray diffraction analysis revealed that investigated structures of 1D coordination polymers assembled in ladder-like systems. The central atom replacement resulted in unit cell identity parameter П = 0.0091. Additionally, the isostructurality of the reported La(III) and Sm(III) complexes was revealed using Hirshfeld Surface analysis supported by Enrichment Ratio calculations.

摘要

合成了两种通式为[M(4,4'-bpy)(CBrHCOO)(HO)](其中4,4'-bpy = 4,4'-联吡啶)的新型混合配体配合物。热分析用于描述热解的固体中间产物和最终产物。使用耦合TG-MS系统监测热解过程中释放的主要挥发性碎片。测定了配合物的晶体结构。得到了阳离子双核M(M(III)=La,Sm)配位核心。两种晶体结构是同构的。单晶X射线衍射分析表明,所研究的一维配位聚合物结构组装成梯状体系。中心原子的替换导致晶胞同一性参数П = 0.0091。此外,通过富集比计算支持的Hirshfeld表面分析揭示了所报道的La(III)和Sm(III)配合物的同构性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/29be/7579616/a45ec3d17018/materials-13-04274-g001.jpg

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