Novel Trinuclear Copper(II) Complex: Crystal Structure at 100 K and Magnetic Properties of  (R, S)-di[(6,7-dimethoxy-isoquinolin-1-yl)-(3,4-dimethoxy-phenyl)-methanolato]-tetra(2-hydroxybenzoato)-diaqua-tricopper dihydrate, [Cu3(C7H5O3)4(C20H20NO5)2(H2O)2]·2(H2O)

IF 0.4 4区 化学 Q4 CRYSTALLOGRAPHY Journal of Chemical Crystallography Pub Date : 2024-03-28 DOI:10.1007/s10870-024-01009-2
Fedor Valach, Ján Pavlik, Ivan Šalitroš, Milan Melník, Jozef Kožíšek
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Abstract

The crystal structure of [Cu3(C7H5O3)4(C20H20NO5)2(H2O)2]·2(H2O) (1) and analysis of temperature and field dependence of magnetic susceptibility is reported in this work. The structure of 1 is composed of trinuclear complex units and water molecules. The middle copper atom occupies the center of symmetry. N, O-bonded (6,7-dimethoxy-isoquinolin-1-yl)-(3,4-di­methoxy-phenyl)-methanolato ligands, 2-hydroxybenzoates with bridging carboxylic groups, and oxo-bridged water molecules connect the middle Cu(II) atom with the terminal copper atoms. Two 2-hydroxybenzoates coordinate the terminal copper atoms via one carboxylic oxygen and an O atom of the hydroxyl group. The analysis of copper coordination by bond-valence sum approach and relevant structural correlation is consistent with hexacoordinated Cu(II) centers. Cu···Cu separation is 3.0269(3) Å. The magnetism of 1 shows a strong ferromagnetic interaction between the neighboring metallic centers accompanied by very weak antiferromagnetic intermolecular interactions. The complex units are mutually held by π···π stack interactions of 2-hydroxybenzoates and hydrogen bonds.

Graphical Abstract

A new N,O bonded ligands, (R, S)-[(6,7-dimethoxy-isoquinolin-1-yl)-(3,4-dimethoxy-phenyl)-methanolate] coordinate the terminal atoms of the trinuclear copper(II) complex.

Abstract Image

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新型三核铜(II)配合物:(R, S)-二[(6,7-二甲氧基-异喹啉-1-基)-(3,4-二甲氧基苯基)-甲醇]-四(2-羟基苯甲酸)-二水合三氯化铜在 100 K 时的晶体结构和磁性能,[Cu3(C7H5O3)4(C20H20NO5)2(H2O)2]-2(H2O)
本文报告了[Cu3(C7H5O3)4(C20H20NO5)2(H2O)2]-2(H2O)(1)的晶体结构以及磁感应强度的温度和磁场依赖性分析。1 的结构由三核复合单元和水分子组成。中间的铜原子占据对称中心。N、O 键 (6,7-dimethoxy-isoquinolin-1-yl)-(3,4-dimethoxy-phenyl)-methanolato 配体、桥接羧基的 2-hydroxybenzoates 以及氧桥水分子将中间的 Cu(II) 原子与末端的铜原子连接起来。两个 2-羟基苯甲酸酯通过一个羧基氧和一个羟基 O 原子与末端铜原子配位。通过键价总和法和相关的结构关联分析,铜配位与六配位的 Cu(II) 中心一致。1 的磁性表明,相邻金属中心之间存在很强的铁磁相互作用,同时分子间存在很弱的反铁磁相互作用。通过 2-hydroxybenzoates 和氢键的 π---π 堆叠作用,复合物单元相互固定。
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来源期刊
CiteScore
1.50
自引率
12.50%
发文量
56
审稿时长
6.3 months
期刊介绍: Journal of Chemical Crystallography is an international and interdisciplinary publication dedicated to the rapid dissemination of research results in the general areas of crystallography and spectroscopy. Timely research reports detail topics in crystal chemistry and physics and their relation to problems of molecular structure; structural studies of solids, liquids, gases, and solutions involving spectroscopic, spectrometric, X-ray, and electron and neutron diffraction; and theoretical studies.
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