Complexes of Hexacoordinated Ni(II) Based on Diacetyl Bis-hetarylhydrazones: Structures and Magnetic Properties

IF 1.1 3区化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR

Russian Journal of Coordination Chemistry Pub Date : 2024-08-21 DOI:10.1134/S1070328424600396

M. V. Melikhov, D. V. Korchagin, Yu. P. Tupolova, L. D. Popov, V. A. Chetverikova, V. V. Tkachev, A. N. Utenyshev, N. N. Efimov, I. N. Shcherbakov, S. M. Aldoshin

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引用次数: 0

Abstract

Mononuclear nickel complexes [NiL¹(NCS)₂]·2DMSO (I), [NiL¹(NCS)₂]·DMF (II), and [NiL²(NCS)₂]·0.5CH₃OH·1.5H₂O (III) with the distorted octahedral coordination node, where L¹ and L² are the tetradentate ligand systems derived from the products of the condensation of diacetyl with 2-hydrazinoquinoline and 2-hydrazino-4,6-dimethylpyrimidine, respectively, are synthesized. The structures of the compounds are determined by IR spectroscopy and XRD (CIF files ССDС nos. 2219793 (I), 2142035 (II), and 2219794 (III)). The quantum chemical modeling of the axial parameter of magnetic anisotropy in the zero field (D) is performed for the synthesized compounds in the framework of the SA-CASSCF+NEVPT2 method. The complexes are shown to be characterized by three-axis magnetic anisotropy close to the light magnetization plane with positive D. The axial parameter of magnetic anisotropy (D_exp = 8.79 cm⁻¹) determined by the approximation of the magnetometry data on complex [NiL²(NCS)₂]·0.5CH₃OH·1.5H₂O is consistent with the calculated value (D_calc = 11.5 cm⁻¹).

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基于二乙酰基双-乙酰基肼的六配位镍(II)配合物：结构和磁性

摘要单核镍配合物[NiL1(NCS)2]-2DMSO（I）、[NiL1(NCS)2]-DMF（II）和[NiL2(NCS)2]-0.5CH3OH-1.其中 L1 和 L2 分别是二乙酰基与 2-肼基喹啉和 2-肼基-4,6-二甲基嘧啶缩合产物衍生的四价配体系统。这些化合物的结构是通过红外光谱和 XRD 确定的（CIF 文件ССDС 编号：2219793 (I)、2142035 (II) 和 2219794 (III)）。在 SA-CASSCF+NEVPT2 方法的框架内，对合成的化合物进行了零磁场中磁各向异性轴向参数 (D) 的量子化学建模。通过对[NiL2(NCS)2]-0.5CH3OH-1.5H2O 复合物的磁力测量数据进行近似计算而确定的磁各向异性轴向参数（Dexp = 8.79 cm-1）与计算值（Dcalc = 11.5 cm-1）一致。

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来源期刊

Russian Journal of Coordination Chemistry 化学-无机化学与核化学

CiteScore

2.40

自引率

15.80%

发文量

审稿时长

7.2 months

期刊介绍： Russian Journal of Coordination Chemistry is a journal that publishes reviews, original papers, and short communications on all aspects of theoretical and experimental coordination chemistry. Modern coordination chemistry is an interdisciplinary science that makes a bridge between inorganic, organic, physical, analytical, and biological chemistry.