[Ce(PODA)(FA)(H2O)]n | 1582311-18-9

• 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: [Ce(PODA)(FA)(H2O)]n
• 英文别名: [Ce(PODA)(FA)(H₂O)]_n
• CAS: 1582311-18-9
• 化学式: CHO₂*C₁₀H₈O₆*Ce*H₂O
• 分子量: 427.323
• InChiKey: XWHILHSEORCFOB-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -4.51
• 重原子数：
  21.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  170.35
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  甲酸 、 cerium(III) nitrate hexahydrate 、 间苯二酚-O,O'-二乙酸 、 水 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 72.0h， 以43.3%的产率得到[Ce(PODA)(FA)(H2O)]n
  参考文献：
  名称：

  Self-assembly and structures of new lanthanide coordination polymers with 1,3-phenylenebis(oxy)diacetic acid

  摘要：

  Seven Ln(III) coordination polymers, namely [Ln(P0DA)(FA)(H(2)0)]. [Ln = La(1), Ce(2), Pr(3), Nd(4), Eu(5)] and ILn(P0DA)(1.5)(phen)1 [Ln = La(6), Pr(7)] (H(2)PODA = 1,3-phenylenebis(oxy)diacetic acid, HFA = formic acid, phen = 1,10-phenanthroline) have been synthesized under hydrothermal conditions and characterized by IR spectroscopy, elemental analysis, single crystal X-ray crystallography, UV-Vis spectroscopy and powder X-ray diffraction analysis (PXRD). Structural analysis reveals that 1-5 are isostructural and exhibit 3-0 frameworks with a (3(2).4(2).5(2))(2)(3(8).4(20).5(24).6(14), o) topology, which comprise single- and quadruple-strand helical chains; while 6 and 7 show similar layer structures with a (44.62) topology, however, they only consist of one kind of single-strand helical chain. In addition, the thermal stabilities of complexes 3 and 7 and the luminescent properties of complex 5 have been briefly investigated. (C)2014 Published by Elsevier Ltd.

  DOI：

  10.1016/j.poly.2014.01.030