[Nd(NO3)3(MeOH)2(4,4'-bipyridine)2] | 1338782-93-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Nd(NO3)3(MeOH)2(4,4'-bipyridine)2]
• 英文别名: [Nd(NO3)3(MeOH)2(4,4'-bipy)2]
• CAS: 1338782-93-6
• 化学式: C₂₂H₂₄N₇NdO₁₁
• 分子量: 706.713
• InChiKey: OMBNIFQYXOREOX-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：

  [Nd(NO3)3(MeOH)2(4,4'-bipyridine)2] 以 neat (no solvent, solid phase) 为溶剂， 生成 neodymium(III) oxide
  参考文献：
  名称：

  Double-stranded helical lanthanide(III) supramolecular networks with rigid diimine ligands: Synthesis, structure, and physical properties

  摘要：

  Two lanthanide coordination complexes [Nd(NO3)(3)(CH3OH)(2)(4,4'-bipy)(2)] (1) (4,4'-bipy=4,4'-bipyridine) and [4,4'-Hbipy][La(NO3)(4)(H2O)(2)(4,4'-bipy)] (2), with a salt of cationic diprotonated 4,4'-bipy, [2(4,4'-H(2)bipy)][4(NO3)] (3), have been identified and isolated from a methanol solution of Ln(NO3)(3)center dot 6H(2)O, 4,4'-bipyridine and pyrazine in 1:2:1 ratio. Their structures have been determined by single-crystal X-ray diffraction analyses, which reveal that 1 has an interesting three-dimensional supramolecular architecture containing 2(1) double-stranded helical chains through hydrogen bonding and pi-pi interactions, while 2 and 3 have well defined infinite chiral 3D open networks that undergo self-interpenetration. The electrospray ionization mass spectra (ESI-MS) indicate that the covalent complex has higher stability than the electrostatic bonding one. ESI-MS/MS of these ions reveal that the Ln-O bond forms a stronger coordinated bonding than that of Ln-N system and the nitrate anion remains bound to the lanthanide centers after complete dissociation in methanol solution. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.jpcs.2011.07.015
• 作为产物：
  描述：

  甲醇 、 4,4'-联吡啶 、 neodymium(III) nitrate hexahydrate 在 pyrazine 作用下， 以 甲醇 为溶剂， 以67%的产率得到[Nd(NO3)3(MeOH)2(4,4'-bipyridine)2]
  参考文献：
  名称：

  Double-stranded helical lanthanide(III) supramolecular networks with rigid diimine ligands: Synthesis, structure, and physical properties

  摘要：

  Two lanthanide coordination complexes [Nd(NO3)(3)(CH3OH)(2)(4,4'-bipy)(2)] (1) (4,4'-bipy=4,4'-bipyridine) and [4,4'-Hbipy][La(NO3)(4)(H2O)(2)(4,4'-bipy)] (2), with a salt of cationic diprotonated 4,4'-bipy, [2(4,4'-H(2)bipy)][4(NO3)] (3), have been identified and isolated from a methanol solution of Ln(NO3)(3)center dot 6H(2)O, 4,4'-bipyridine and pyrazine in 1:2:1 ratio. Their structures have been determined by single-crystal X-ray diffraction analyses, which reveal that 1 has an interesting three-dimensional supramolecular architecture containing 2(1) double-stranded helical chains through hydrogen bonding and pi-pi interactions, while 2 and 3 have well defined infinite chiral 3D open networks that undergo self-interpenetration. The electrospray ionization mass spectra (ESI-MS) indicate that the covalent complex has higher stability than the electrostatic bonding one. ESI-MS/MS of these ions reveal that the Ln-O bond forms a stronger coordinated bonding than that of Ln-N system and the nitrate anion remains bound to the lanthanide centers after complete dissociation in methanol solution. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.jpcs.2011.07.015