[Pr(1,10-phenanthroline)(1,3-adamantanedicarboxylato(-2H))(1,3-adamantanedicarboxylato(-1H)] | 1121633-92-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: [Pr(1,10-phenanthroline)(1,3-adamantanedicarboxylato(-2H))(1,3-adamantanedicarboxylato(-1H)]
• 英文别名: [Pr(phen)(1,3-adamantanedicarboxylato(-2H))(1,3-adamantanedicarboxylato(-1H))]
• CAS: 1121633-92-8
• 化学式: C₁₂H₈N₂*C₁₂H₁₄O₄*C₁₂H₁₅O₄*Pr
• 分子量: 766.606
• InChiKey: DMOYZHNKFWIEQE-NFTOUITRSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  2.26
• 重原子数：
  47.0
• 可旋转键数：
  4.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  183.47
• 氢给体数：
  1.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  [Pr(1,10-phenanthroline)(1,3-adamantanedicarboxylato(-2H))(1,3-adamantanedicarboxylato(-1H)] 以 neat (no solvent) 为溶剂， 生成 praseodymium(III) oxide
  参考文献：
  名称：

  Syntheses and characterization of novel lanthanide adamantine–dicarboxylate coordination complexes

  摘要：

  Hydrothermal reactions of 1,10-phenanthroline (phen), 1,3-adamantanedicarboxylic acid (H2L) and lanthanide chlorides yielded six compounds: [Ln(L)(HL)(phen)] (Ln = Pr, 1; Nd, 2), [Ln(L)(HL)(phen) (H2O)] (Sm, 3: Eu, 4), [Tb(L)(HL)(phen)(H2O)](2) center dot 2H(2)O (5), [Er-3(L)(4)(OH)(phen)](2) (6). Compounds 1-4 are structurally featured by one-dimensional polymeric chains; 5 hold binuclear structure constructed from eight-coordinated lanthanide center LnN(2)O(6) of distorted bicapped trigonal prism bridged by dicarboxylate ligands; 6 shows that erbium ions are in mono and bicapped trigonal prismatic geometries, respectively, which are further connected by mu(3)-OH to give rise to trinuclear structure. Thermogravimetric analyses of 1, 3 and 5 were performed. Fluorescent measurements of 4 and 5 were carried out, respectively. (C) 2008 Published by Elsevier Inc.

  DOI：

  10.1016/j.jssc.2008.09.018
• 作为产物：
  描述：

  1,10-菲罗啉 、 1,3-金刚烷二甲酸 、 氯化镨(III) 水合物 以 水 为溶剂， 以40%的产率得到[Pr(1,10-phenanthroline)(1,3-adamantanedicarboxylato(-2H))(1,3-adamantanedicarboxylato(-1H)]
  参考文献：
  名称：

  Syntheses and characterization of novel lanthanide adamantine–dicarboxylate coordination complexes

  摘要：

  Hydrothermal reactions of 1,10-phenanthroline (phen), 1,3-adamantanedicarboxylic acid (H2L) and lanthanide chlorides yielded six compounds: [Ln(L)(HL)(phen)] (Ln = Pr, 1; Nd, 2), [Ln(L)(HL)(phen) (H2O)] (Sm, 3: Eu, 4), [Tb(L)(HL)(phen)(H2O)](2) center dot 2H(2)O (5), [Er-3(L)(4)(OH)(phen)](2) (6). Compounds 1-4 are structurally featured by one-dimensional polymeric chains; 5 hold binuclear structure constructed from eight-coordinated lanthanide center LnN(2)O(6) of distorted bicapped trigonal prism bridged by dicarboxylate ligands; 6 shows that erbium ions are in mono and bicapped trigonal prismatic geometries, respectively, which are further connected by mu(3)-OH to give rise to trinuclear structure. Thermogravimetric analyses of 1, 3 and 5 were performed. Fluorescent measurements of 4 and 5 were carried out, respectively. (C) 2008 Published by Elsevier Inc.

  DOI：

  10.1016/j.jssc.2008.09.018