[PrCl(bdpc)(DMF)] | 1426954-04-2

• 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: [PrCl(bdpc)(DMF)]
• 英文别名: [PrCl(4,4'-biphenyldicarboxylic acid)(N,N-dimethylformamide)]
• CAS: 1426954-04-2
• 化学式: C₃H₇NO*C₁₄H₈O₄*Cl*Pr
• 分子量: 489.671
• InChiKey: NYJHYELKDOMPOZ-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -3.21
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  100.57
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  praseodymium(III) chloride hexahydrate 、 檀香(SANTALUMALBUM)提取物 、 N,N-二甲基甲酰胺 以 乙腈 为溶剂， 反应 72.0h， 以44.9%的产率得到[PrCl(bdpc)(DMF)]
  参考文献：
  名称：

  Five sra Topological Ln(III)-MOFs Based on Novel Metal-Carboxylate/Cl Chain: Structure, Near-Infrared Luminescence and Magnetic Properties

  摘要：

  Five isostructural three-dimensional (3D) lanthanide (Ln) frameworks [LnCl(bpdc)(DMF)] (Ln = La (1), Ce (2), Pr (3), Nd (4), and Sm (5), H2bpdc = 4,4'-biphenyl-dicarboxylic acid, DMF = N,Ndimethylformamide) have been solvothermally synthesized and characterized by TGA, IR, and X-ray single crystal diffraction. The frameworks contain unusual Ln-carboxylate/C1 chains, and which are extended by bpdc(2-) linkers to form 4-connected sra networks with ID rhombic channels. The effect of lanthanide contraction induces the decreases of average Ln O and Ln Cl distances from La to Sm. 4 exhibits strong characteristic luminescence of Nd3+ ions in the near-infrared (NIR) region, resulting from the sensitization of bpdc(2-). 3 displays weak NIR emission due to the inefficient sensitization of Pr3+ ions. The depopulation of the Stark levels and possible antiferromagnetic interactions within the Lncarboxylate/C1 chains lead to the continuous decreases of chi T-M for 2-4 along the decreasing temperatures.

  DOI：

  10.1021/cg301810y