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首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >Crystal structure and magnetic properties of the magnetically isolated zigzag chain in KGaCu(PO4)(2)
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Crystal structure and magnetic properties of the magnetically isolated zigzag chain in KGaCu(PO4)(2)

机译：kgacu（po4）（2）中磁隔离锯齿链的晶体结构和磁性。（2）

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摘要

Magnetism of any material depends on its crystal structure. However, two isostructural compounds such as MCuMoO4(OH) (M = Na, K) can have markedly different magnetic properties. Herein, we introduce a new method to describe the linkages between the O-atoms and their bridged Cu2+ ions in order to clearly illustrate the structure-magnetic property relationships. This new method can account for magnetic differences between the two isostructural MCuMoO4(OH) and is further confirmed by the rational design and development of a new compound KGaCu(PO4)(2) with different linkages. The title compound crystalized in a space group of P2(1)/c adopts a one-dimensional (1D) magnetically isolated S = 1/2 zigzag chain composed of elongated [CuO6] octahedra via sharing alternately equatorial and skew edges. O atoms at the skew edges bridge the equatorial and axial orbitals of neighbouring Cu2+ ions (denoted EOA), while those at the equatorial edges bridge the equatorial orbitals of Cu2+ ions (EOE). The nearest-neighbour (NN) magnetic coupling of Cu2+ ions with the EOA linkage at 2.821 angstrom in the title compound is negligible, whereas the NN magnetic coupling of Cu2+ ions with the EOE linkage at 2.974 angstrom is essential. Therefore, the zigzag chain containing alternating spin-exchange dimers and no-spin-exchange ones is similar in electronic configuration to the dimerization of the quasi-one-dimensional antiferromagnet. Magnetic investigation of analogous compounds with a 'trans-cis-trans-cis' configuration observed in the title compound may shed light on structural evolutions associated with spin-Peierls (SP) transition.
机译：任何材料的磁性都取决于其晶体结构。然而，两种同构化合物如MCuMoO4（OH）（M=Na，K）可能具有明显不同的磁性。在这里，我们介绍了一种新的方法来描述O原子与其桥联的Cu2+离子之间的联系，以便清楚地说明结构-磁性关系。这种新方法可以解释两种同构MCuMoO4（OH）之间的磁性差异，并通过合理设计和开发具有不同连接的新化合物KGaCu（PO4）（2）进一步证实了这一点。在P2（1）/c的空间群中结晶的标题化合物采用一维（1D）磁隔离S=1/2之字形链，由细长的[CuO6]八面体通过交替共享赤道和斜边组成。O原子在斜边架桥相邻Cu2+离子（表示为EOA）的赤道和轴向轨道，而在赤道边架桥相邻Cu2+离子（表示为EOE）的赤道轨道。标题化合物中Cu2+离子与2.821埃EOA键的最近邻（NN）磁耦合可忽略不计，而Cu2+离子与2.974埃EOE键的NN磁耦合则至关重要。因此，含有交替自旋交换二聚体和无自旋交换二聚体的锯齿链在电子构型上与准一维反铁磁体的二聚体相似。对标题化合物中观察到的具有“反-顺-反”构型的类似化合物进行磁性研究，可能有助于揭示与自旋-佩耶尔（SP）跃迁相关的结构演化。

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    Chen Xiao-Hui; Guo Run-Ze; Huang Ya-Xi; Pan Yuanming; Mi Jin-Xiao;

  • 作者单位

    Xiamen Univ Dept Mat Sci &

    Engn Coll Mat Fujian Prov Key Lab Adv Mat Xiamen 361005 Fujian Peoples R China;

    Xiamen Univ Dept Mat Sci &

    Engn Coll Mat Fujian Prov Key Lab Adv Mat Xiamen 361005 Fujian Peoples R China;

    Xiamen Univ Dept Mat Sci &

    Engn Coll Mat Fujian Prov Key Lab Adv Mat Xiamen 361005 Fujian Peoples R China;

    Univ Saskatchewan Dept Geol Sci Saskatoon SK S7N 5E2 Canada;

    Xiamen Univ Dept Mat Sci &

    Engn Coll Mat Fujian Prov Key Lab Adv Mat Xiamen 361005 Fujian Peoples R China;

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  • 正文语种 eng
  • 中图分类 化学;无机化学;
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