A rare example of a dimeric copper(II) complex with a double nitrato κ1-O,O′;κ2-O bridge: synthesis, crystal structure, magnetic properties and Hirshfeld surface analysis

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron Pub Date : 2025-07-08 DOI:10.1016/j.poly.2025.117669

Bhargab Guhathakurta , Naba Kr Mandal , Prantick Shaw , Samia Benmansour , Carlos J. Gómez-García , Jnan Prakash Naskar

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Abstract

We present a very unusual κ¹-O,O′;κ²-O nitrate-bridged dinuclear copper(II) complex formulated as [Cu₂(NO₃)₂(L)₂] (1), prepared with the NNO-donor Schiff base ligand, 2-(benzothiazol-2-yl-hydrazono)-1,2-diphenyl-ethanone (HL). Compound 1 has been characterized by elemental analysis, ESI-MS, FT-IR, UV–Vis and EPR spectroscopy. Single crystal X-ray diffraction analysis reveals that 1 is a Cu^II dimer with a double Cu-O-Cu bridge. It crystallizes in the monoclinic P2₁/n space group. Solution and solid state electronic spectra confirm its identity in both phases. Magnetic susceptibility measurements of 1 reveal the presence of a weak antiferromagnetic CuCu coupling through the double oxido bridge that can be fitted with a simple Bleaney-Bowers S = 1/2 dimer model with g = 2.0703(8) and J = −1.83(2) cm⁻¹. X-ray powder diffraction shows that 1 is obtained as a single crystalline phase. Hirshfeld surface analysis shows that intermolecular interactions in 1 are dominated by HH, CH, OH and NH interactions with percentages of 23.4, 15.8, 10.5 and 5.0 respectively.

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具有双硝基κ1-O，O '；κ2-O桥的二聚铜（II）配合物的罕见例子：合成、晶体结构、磁性能和Hirshfeld表面分析

我们提出了一个非常罕见的κ1-O，O '；κ2-O硝酸盐桥接双核铜（II）配合物，分子式为[Cu2(NO3)2(L)2](1)，由nno供体希夫碱配体2-（苯并噻唑-2-酰基腙）-1,2-二苯乙酮（HL）制备。化合物1通过元素分析、ESI-MS、FT-IR、UV-Vis和EPR光谱进行了表征。单晶x射线衍射分析表明，1是具有双Cu-O-Cu桥的CuII二聚体。它在单斜P21/n空间群中结晶。溶液和固态电子谱证实了其在两相中的同一性。磁化率1的测量结果表明，通过双氧化桥存在弱反铁磁CuCu耦合，该耦合可以用简单的Bleaney-Bowers S = 1/2二聚体模型来拟合，其中g = 2.0703(8), J = - 1.83(2) cm−1。x射线粉末衍射表明，1为单晶相。Hirshfeld表面分析表明，1中的分子间相互作用以HH、CH、OH和NH相互作用为主，比例分别为23.4、15.8、10.5和5.0。

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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.