【摘要】 采用缓慢挥发法合成了一例单核镝配合物[Dy（pmbp）₃（H₂O）₂]·CH₃CN （1）,（Hpmbp=1-苯基-3-甲基-4-苯甲酰基-5-吡唑啉酮）。单晶X射线衍射数据表明镝离子与3个pmbp^-配体和2个H₂O分子配位,形成八配位的扭曲四方反棱柱构型。磁性测试表明配合物1在加场下可以表现出慢的磁弛豫行为,其有效能垒为42 K。通过理论计算得出了配合物1的磁易轴方向,并解释了其磁学性能。磁构关系研究分析了pmbp^-配体的共轭效应对配合物1磁各向异性的影响。更多还原

【Abstract】 A mononuclear dysprosium complex [Dy（pmbp）₃（H₂O）₂]·CH₃CN（1）（Hpmbp=1-phenyl-3-methyl-4-benzoyl-pyrazol-5-one） was synthesized by the slow evaporation method. The complex exhibits a distorted square antiprism geometry around Dy（Ⅲ）ion, which coordinates to three pmbp^-and two H₂O ligands. The magnetic properties measurements show that 1 can exhibit a slow magnetic relaxation behavior under an applied dc field, and the effective energy barrier was 42 K. The ab intio calculations point out that the magnetic easy axis is along the direction of two pmbp^-ligands in trans position, and the g_z value of low-lying ground state was 18.818. Magneto-structural correlation studies analyzed the influence of conjugation effect in pmbp^-ligand on the magnetic anisotropy of complex 1.CCDC: 2032517.更多还原