poly[aquaneodymium(III)-μ5-2-oxido-5-sulfonatobenzoato] | 847991-48-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: poly[aquaneodymium(III)-μ5-2-oxido-5-sulfonatobenzoato]
• 英文别名: [Nd(5-sulfosalicylic acid(-3H))(H2O)](n)；[Nd(ssa)(H2O)]n
• CAS: 847991-48-4
• 化学式: C₇H₃O₆S*H₂O*Nd
• 分子量: 377.418
• InChiKey: DJPXGFRMXZPVAI-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -2.8
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  151.89
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  poly[aquaneodymium(III)-μ5-2-oxido-5-sulfonatobenzoato] 以 neat (no solvent, solid phase) 为溶剂， 生成 neodymium(III) oxide
  参考文献：
  名称：

  Synthesis, Photoluminescent, and Magnetic Properties of Two Lanthanide Sulfosalicylate Complexes

  摘要：

  Self-assembly reactions of 5-sulfosalicylic acid (ssa) and lanthanide oxides under hydrothermal condition gave rise to two hybrid polymeric complexes, namely [Nd(ssa)(H2O)](n) (1) and {[Tb(ssa)(H2O)(2)]center dot H2O}(n) (2). X-ray diffraction analyses reveal that complex 1 holds a three-dimensional framework and complex 2 possesses a two-dimensional network with the asymmetric unit comprising one Tb(III) ion, one sulfosalicylate ligand, and two coordinated and one free water molecule. The Fourier transform infrared spectra, thermogravimetric analyses, magnetic susceptibility, and fluorescent measurements for the complexes have been performed.

  DOI：

  10.1080/15533174.2011.615043
• 作为产物：
  描述：

  水 、 5-磺基水杨酸 、 neodymium(III) nitrate hexahydrate 在 imidazole 、 KOH 作用下， 以 水 为溶剂， 以72.4%的产率得到poly[aquaneodymium(III)-μ5-2-oxido-5-sulfonatobenzoato]
  参考文献：
  名称：

  Syntheses, structures, luminescence, and magnetism of four 3D lanthanide 5-sulfosalicylates

  摘要：

  Four 3D lanthanide(III) complexes with 5-sulfosalicylic acid (H(3)SSA) as bridging ligands, Ln(SSA)(H2O)(2) [Ln = Ce(III) (1), Pr(III) (2), Nd(III) (3) and Dy(III) (4)], have been synthesized and characterized by elemental analysis, IR, XRD and single-crystal X-ray diffraction. X-ray structural analysis reveals that isostructral complexes 1-4 possess 3D structures with 4 6 6 4 topology. Complexes I and 2 exhibit broad intraligand fluorescent emission bands. Complexes 3 and 4 not only display intraligand fluorescent emission bands, but also present Nd(III) characteristic emission in the near-IR region and sensitized luminescence of Dy(III) ions in the visible region, respectively. Variable-temperature magnetic susceptibility measurements of 2-4 have been studied over the temperature range of 4-300 K. (C) 2007 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2007.12.027

文献信息

• Poly[aquaneodymium(III)-μ₅-2-oxido-5-sulfonatobenzoato]
  作者：Xiao-Qin Wang、Jian Zhang、Zhao-Ji Li、Yi-Hang Wen、Jian-Kai Cheng、Yuan-Gen Yao

  DOI：10.1107/s0108270104022280

  日期：2004.12.15

  The title compound, [ Nd( C7H3O6S)( H2O)] (n) or [ Nd( SSA)-( H2O)] (n) ( H(3)SSA is 5- sulfosalicylic acid), was synthesized by the hydrothermal reaction of Nd2O3 with H(3)SSA in water. The compound forms a three- dimensional network in which the asymmetric unit contains one Nd (III) atom, one SSA ligand and one coordinated water molecule. The central Nd (III) ion is eight-coordinate, bonded to seven O atoms from ve different SSA ligands [ Nd - O = 2.405 ( 4) -2.612 ( 4) Angstrom] and one aqua O atom [ Nd - OW = 2.441 ( 4) Angstrom].