Self-assembly of tetra nuclear lanthanide (Pr, Nd) hydroxo clusters with functionalized β-diketone: Experimental and theoretical studies

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron Pub Date : 2024-11-14 DOI:10.1016/j.poly.2024.117306

Ananda Kumar Jami , Pilli V.V.N. Kishore , Venkatesan Srinivasadesikan , Bharat Kumar Tripuramallu , Maddina Sreenivasa Rao

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Abstract

Reaction of LnCl₃·6H₂O (Ln = Pr, Nd) with functionalized β-Diketone {ortho-hydroxydibenzoylmethane (HO-DBM)} in 1:2 ratio in methanol and in presence of triethylamine (excess) as base yielded two tetra nuclear lanthanide hydroxo clusters of composition [Ln₄(O-DBM)₄(HO-DBM)₄(µ₃-OH)₂][Et₃NH]₂.3CH₂Cl₂, (Ln = Pr (1), Nd (2)). The clusters 1 and 2 has been structurally characterized by single crystal X-ray diffraction. A one-dimensional supramolecular chain is observed in the solid state structure (2), where dichloromethane solvent molecules are linked to the phenyl rings of adjacent diketone linkers through CH⋯π and Cl⋯π interactions. Theoretical studies support the stability of structure (2), with calculated geometric parameters aligning with experimental findings.

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四核镧系元素（镨、钕）羟基团簇与官能化β-二酮的自组装：实验和理论研究

LnCl3-6H2O（Ln = Pr、Nd）与功能化β-二酮{正羟基二苯甲酰基甲烷（HO-DBM）}以 1:2 的比例在甲醇中并在三乙胺（过量）作为碱存在的情况下反应，生成了两个四核镧系氢氧簇，其组成为[Ln4(O-DBM)4(HO-DBM)4(µ3-OH)2][Et3NH]2。3CH2Cl2，（Ln = Pr (1)，Nd (2)）。通过单晶 X 射线衍射，对团簇 1 和 2 进行了结构表征。在固态结构 (2) 中观察到一条一维超分子链，其中二氯甲烷溶剂分子通过 CH⋯π 和 Cl⋯π 相互作用连接到相邻二酮连接体的苯基环上。理论研究支持结构 (2) 的稳定性，计算得出的几何参数与实验结果一致。

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来源期刊

Polyhedron 化学-晶体学

CiteScore

4.90

自引率

7.70%

发文量

515

审稿时长

2 months

期刊介绍： Polyhedron publishes original, fundamental, experimental and theoretical work of the highest quality in all the major areas of inorganic chemistry. This includes synthetic chemistry, coordination chemistry, organometallic chemistry, bioinorganic chemistry, and solid-state and materials chemistry. Papers should be significant pieces of work, and all new compounds must be appropriately characterized. The inclusion of single-crystal X-ray structural data is strongly encouraged, but papers reporting only the X-ray structure determination of a single compound will usually not be considered. Papers on solid-state or materials chemistry will be expected to have a significant molecular chemistry component (such as the synthesis and characterization of the molecular precursors and/or a systematic study of the use of different precursors or reaction conditions) or demonstrate a cutting-edge application (for example inorganic materials for energy applications). Papers dealing only with stability constants are not considered.