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Synthesis and characterization of 3d and 4f metal complexes of Schiff base ligands

机译:席夫碱配体的3d和4f金属配合物的合成与表征

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Square planar complexes of monomeric [Cu(L1)_2] (1) and [Ni(L1)_2] (2) (where L1 is C_(200H_(24)NO _2) are isolated through the use of Schiff base ligands and characterized by X-ray diffraction, UV-Vis, electron paramagnetic resonance (EPR) and DFT calculations. Effects of coordinating and non-coordinating solvent for 1 and 2 (UV-Vis) were studied in detail. The EPR spectra recorded for 1, confirms the rhombic nature of Cu(II) ion of 1 in the solid state, g = [2.185, 2.086, 2.036], and frozen fluid with the spin Hamiltonian parameters, g = [2.207, 2.079, 2.040]. The slight deviation in the g-tensor of 1 from its powder to frozen solution is attributed to the loss of intermolecular hydrogen bonding in fluid solution. UV-Vis (for 1 and 2) and EPR (for 1) parameters obtained from DFT calculations are consistent with the experimental data, and further confirms that the solid state structures of 1 and 2 are maintained in solution. Crystal structures of praseodymium and lanthanum monomeric complexes obtained with HL2 (C_(14)H_(11)NO_2) are also reported. The X-ray crystal structure of the praseodymium complex solved in an orthorhombic crystal system with molecular formula [Pr(HL_2)_2(NO _3)_3] (3), whereas lanthanum in a triclinic system with molecular formula [La(HL_2)_3(NO_3)_3] (4) with multiple intermolecular hydrogen bonds. Complexes 3 and 4 are found to be in distorted bicapped square anti-prism and Icosahedron geometries respectively.
机译:通过使用席夫碱配体分离出单体[Cu(L1)_2](1)和[Ni(L1_2_2)(2)(其中L1为C_(200H_(24)NO _2))的方形平面络合物并进行了表征通过X射线衍射,UV-Vis,电子顺磁共振(EPR)和DFT计算,详细研究了1和2的配位和非配位溶剂(UV-Vis)的影响,记录1的EPR光谱证实固态的Cu(II)离子1的菱形性质,g = [2.185,2.086,2.036],具有自旋哈密顿参数的冷冻流体,g = [2.207,2.079,2.040]。从粉末到冷冻溶液的g张量为1,这是由于流体溶液中分子间氢键的丧失所致; DFT计算获得的UV-Vis(对于1和2)和EPR(对于1)参数与实验数据一致,并进一步证实1和2的固态结构在溶液中得以保持。ase和镧单体c的晶体结构还报告了用HL2(C_(14)H_(11)NO_2)获得的复合物。 molecular络合物的X射线晶体结构在分子式为[Pr(HL_2)_2(NO _3)_3](3)的正交晶体系统中求解,而镧在分子式为[La(HL_2)_3的三斜晶系​​中(NO_3)_3](4)具有多个分子间氢键。发现复合物3和4分别处于扭曲的二等边方形反棱镜和二十面体几何中。

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