首页> 外文期刊>QScience Connect >A new bis(oxalato)chromate(III) salt: synthesis, crystal structure, thermal behavior and magnetic properties of (C3H5N2)[Cr(C2O4)2(H2O)2].2H2O
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A new bis(oxalato)chromate(III) salt: synthesis, crystal structure, thermal behavior and magnetic properties of (C3H5N2)[Cr(C2O4)2(H2O)2].2H2O

机译:一种新的双(草酸酯)铬酸盐(III)盐:(C3H5N2)[Cr(C2O4)2(H2O)2] .2H2O的合成,晶体结构,热行为和磁性

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A new chromium(III) salt (C3H5N2)[Cr(C2O4)2(H2O)2].2H2O, trans-diaquabis(oxalato) chromate(III) imidazolium dihydrate, has been synthesized and characterized by single crystal X-ray diffraction. This compound crystallizes in the monoclinic system, C2/c space group with a?=?10.836(1)?, b?=?7.541(1)?, c?=?16.349(3)? and β?=?93.52(1)°. The structure of the title compound consists of [Cr(C2O4)2(H2O)2]?? mononuclear anions, imidazolium cations and uncoordinated water molecules. The crystal structure data indicates that the Cr +III ion is six coordinated in a distorted octahedral geometry, with four equatorial O atoms of two oxalate anions acting as chelating ligands and two axial O atoms from two water molecules. Structural cohesion is established by intermolecular O–H…O hydrogen bonds connecting the ionic entities and water molecules. In fact, both coordinated and uncoordinated water molecules play an important role in the hydrogen-bonded system, stabilizing the structure. Magnetic susceptibility measurements of the title compound in the range 2-300K exhibit paramagnetic behavior at high temperature. However, at low temperature, the magnetic data show the occurrence of weak antiferromagnetic intermolecular interactions between the local spin.
机译:一种新的铬(III)盐(C 3 H 5 N 2 )[Cr(C 2 O < sub> 4 2 (H 2 O) 2 ]。2H 2 O,反式-二水合二氧杂草酸铬(III)咪唑鎓二水合物,并通过单晶X射线衍射表征。该化合物在单斜晶系中结晶,C 2 / c空间群的a 1 = 10.836(1)2,b 2 = 7.541(1)3,c 2 = 16.349(3)3。 β≥= 93.52(1)°。标题化合物的结构由[Cr(C 2 O 4 2 (H 2 O)组成 2 ] ?? 单核阴离子,咪唑阳离子和未配位的水分子。晶体结构数据表明,Cr + III 离子在扭曲的八面体几何结构中是六配位的,两个草酸根阴离子的四个赤道O原子用作螯合配体,两个水分子中的两个轴向O原子。通过分子间的O–H…O氢键连接离子实体和水分子建立结构内聚力。实际上,配位和不配位的水分子在氢键体系中都起着重要作用,从而稳定了结构。标题化合物在2-300K范围内的磁化率测量值在高温下表现出顺磁行为。但是,在低温下,磁数据表明局部自旋之间发生弱的反铁磁分子间相互作用。

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