| 780024-73-9

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物
• CAS: 780024-73-9；40309-95-3
• 化学式: ErH₈N₃O₁₃
• 分子量: 425.336
• InChiKey: ZAPNJRNVKLRYDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  、 [Fe(bis(2-pyridylcarbonyl)amine(-H))2]NO3 、 水 以 甲醇 、 硝基甲烷 为溶剂， 以83%的产率得到[Fe(bis(2-pyridylcarbonyl)amine(-H))2][Er(NO3)3(H2O)4]*NO3*H2O
  参考文献：
  名称：

  The magnetic anisotropy and assembling of the lanthanide coordination units in [Fe(bpca)2][Er(NO3)3(H2O)4]NO3

  摘要：

  The magnetic properties of the title compound are discussed in correlation with the molecular and crystal structure. The bimetallic complex [Fe(bpea)(2)][Er(NO3)(3)(H2O)(4)](NO3) (where Hbpca = bis(2-pyridilcarbonyl)amine) crystallizes in the triclinic space group P1(-) exhibiting stacks of [Fe(bpca)(2)](+) and [Er(NO3)(3)(H2O)(4)] entities connected by hydrogen bonds. The [Er(NO3)(3)(H2O)(4)] units are connected by hydrogen bonds established between coordinated aqua and nitrate ligands. Static and dynamic magnetic properties are reported. The complex exhibits the magnetization lag in ac magnetic field of 10-1400 Hz, above 1.8 K, under a static magnetic field. The ab initio calculations, including ligand field and spin orbit effects illuminated the anisotropy properties of the lanthanide ions in the complex, revealing the orientation and extension of the lobes corresponding to the easy magnetization axes. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.10.003