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Hydrothermal synthesis, crystal structure and magnetic property of a novel 3D coordinated polymer [Mn(tzda) (4,4 '-bipy)(H2O)](n)

机译:新型3D配位聚合物[Mn(tzda)(4,4'-bipy)(H2O)](n)的水热合成,晶体结构和磁性

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摘要

A novel 3D coordination polymer [Mn(tzda)(4,4 '-bipy)(H2O)](n) (1) of mixed ligands, (1,3,4-thiadiazole-2,5-diyldithio)diacetic acid (H(2)tzda) and 4,4 '-bipyridine, has been hydrothermally synthesized and characterized by single-crystal X-ray diffraction and IR spectra. Complex I crystallizes in. the orthorhombic space group Pbca with a = 18.1657(9)angstrom, b = 9.0882(5)angstrom, c = 22.9333(12)angstrom. In the structure, each Mn(II) ion is in a distorted octahedral coordination geometry, three among four coordination sites of the equatorial plane are occupied by the carboxylate oxygen atoms and the remaining site is occupied by the water molecule while the apical positions are occupied by two nitrogen atoms from two bipy molecules. The six-coordinated Mn ions are interlinked by flexible tzda ligands to form layers, which are sustained by rigid 4,4 '-bipy ligands into a 3D open framework. The magnetic property of 1 was also investigated and the magnetic susceptibility data were rationally fitted with J = -0.103 cm(-1), g = 2.09, zJ ' = -0.02 cm(-1), showing weakly antiferromagnetic interactions among Mn(II) ions in 1.
机译:(1)混合配体的新型3D配位聚合物[Mn(tzda)(4,4'-bipy)(H2O)](n)(1)(1,3,4-噻二唑-2,5-二基二硫代)二乙酸( H(2)tzda)和4,4'-联吡啶,已经水热合成,并通过单晶X射线衍射和IR光谱进行了表征。配合物I在正交晶体空间群Pbca中结晶,其a = 18.1657(9)埃,b = 9.0882(5)埃,c = 22.9333(12)埃。在该结构中,每个Mn(II)离子均处于扭曲的八面体配位几何形状,赤道平面的四个配位点中的三个被羧酸盐氧原子占据,其余的位点被水分子占据,而顶端位置被占据来自两个双联分子的两个氮原子。六个配位的Mn离子通过柔性tzda配体相互连接形成层,这些层被刚性的4,4'-bipy配体维持在3D开放框架中。还研究了1的磁性能,并用J = -0.103 cm(-1),g = 2.09,zJ'= -0.02 cm(-1)合理拟合了磁化率数据,表明Mn(II)之间的弱反铁磁相互作用)中的离子。

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