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首页> 外文期刊>International Journal of Quantum Chemistry >Crystal structure and magnetic properties of the coupled spin dimer compound SrCu2(TeO3)(2)Cl-2
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Crystal structure and magnetic properties of the coupled spin dimer compound SrCu2(TeO3)(2)Cl-2

机译:自旋二聚体化合物SrCu2(TeO3)(2)Cl-2的晶体结构和磁性

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Single crystals of the strontium copper tellurium oxochloride SrCu2,(TeO3)(2)C]2 were synthesized via solid-gas reactions in sealed evacuated silica tubes. The compound crystallizes in the monoclinic system, space group P2(1), a = 7.215(2), b = 7.2759(15), c = 8.239(2) angstrom, beta = 96.56(4)degrees, Z = 2. The building units are [SrO6Cl2] irregular polyhedra, [CuO4] and [CuO3Cl] square planes, [TeO3E] tetrahedra and [TeO3+1E] trigonal bipyramids; E being the 5s(2) lone pair of Te(W). The Cu atoms can be regarded as forming a chain of weakly connected dimers. The magnetic susceptibility of the compound shows a broad maximum typical for antiferromagnetic spin fluctuations with a non-magnetic ground state. A Heisenberg spin model with coupled s = 1/2 dimers leads to a satisfactory fitting of the experimental data. (c) 2006 Elsevier Inc. All rights reserved.
机译:在密封的真空石英管中通过固-气反应合成了锶氯化氧氯化碲铜(SrCu2,(TeO3)(2)C] 2的单晶。该化合物在单斜晶系空间群P2(1),a = 7.215(2),b = 7.2759(15),c = 8.239(2)埃,β= 96.56(4)度,Z = 2的条件下结晶。建筑单位是[SrO6Cl2]不规则多面体,[CuO4]和[CuO3Cl]方形平面,[TeO3E]四面体和[TeO3 + 1E]三角双锥体。 E是Te(W)的5s(2)孤对。可以将铜原子视为形成弱连接的二聚体链。该化合物的磁化率显示出具有非磁性基态的反铁磁自旋波动的典型最大值。耦合了s = 1/2二聚体的Heisenberg自旋模型可得出令人满意的实验数据拟合结果。 (c)2006 Elsevier Inc.保留所有权利。

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