Magnetic studies and Hirshfeld surface analysis of acetato bridged 2D Mn(II) coordination polymer with 4-aminobenzohydrazide ligand

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron Pub Date : 2024-08-30 DOI:10.1016/j.poly.2024.117207

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Abstract

A new acetato bridged 2D coordination polymer with general formula of [Mn(µ-4-ambh)(µ-OAc)(OAc)]_n (1) was prepared by the reaction of Mn(OAc)₂·4H₂O with 4-aminobenzohydrazide (4-ambh) in equimolar ratio. The reaction was done in methanol under reflux condition and the single crystals of 1 were obtained by evaporation of the solvent. The structure of this compound was determined by X-ray analysis, and its spectroscopic properties and thermal stability were also studied. These studies indicated that in this compound, the manganese ions are connected by a mixture of acetate and 4-ambh bridges to form a 2D polymeric network at the bc crystallographic plane. The intermolecular and intramolecular interactions were investigated by Hirshfeld surface analysis. Magnetic studies revealed a dominant antiferromagnetic intermetallic coupling of J = −0.78 cm⁻¹ magnitude. Magnetization measurements suggest a diamagnetic ground state and a small gap of 1.59 cm⁻¹ with the first excited state; while the axial zero-field splitting parameter, D, was calculated at −0.21 cm⁻¹.

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含 4-aminobenzohydrazide 配体的乙酰桥接二维 Mn(II) 配位聚合物的磁性研究和 Hirshfeld 表面分析

一种通式为[Mn(µ-4-ambh)(µ-OAc)(OAc)]n（1）的新型乙酰桥接二维配位聚合物是由 Mn(OAc)2-4H2O 与 4-氨基苯甲酰肼（4-ambh）以等摩尔比例反应制备的。反应在甲醇中回流进行，蒸发溶剂后得到 1 的单晶。通过 X 射线分析确定了该化合物的结构，并对其光谱特性和热稳定性进行了研究。这些研究表明，在该化合物中，锰离子通过醋酸桥和 4-ambh 桥的混合物连接，在 bc 晶面上形成二维聚合物网络。通过 Hirshfeld 表面分析研究了分子间和分子内的相互作用。磁性研究显示，金属间的反铁磁耦合占主导地位，J = -0.78 cm-1。磁化测量结果表明，该化合物具有一个二磁基态，与第一激发态之间存在 1.59 cm-1 的微小间隙；而轴向零场分裂参数 D 的计算值为 -0.21 cm-1。

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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.