| 159542-61-7

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• CAS: 159542-61-7
• 化学式: C₁₀H₂₀CeCl₃O₅
• 分子量: 466.745
• InChiKey: LXVVKXFREAPXHA-UHFFFAOYSA-K

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

• 作为产物：
  描述：

  水合氯化铈 、 15-冠醚-5 以 甲醇 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Primary to secondary sphere coordination of 15-crown-5 to lanthanide(III) chlorides: structural analysis of [MCl3(15-crown-5)] (M=La, Ce) and [Er(OH2)8]Cl3·15-crown-5

  摘要：

  Complexes of LaCl3.7H(2)O and CeCl3.7H(2)O directly coordinated to 15-crown-5 were prepared by placing the reactants in 3:1 CH3CN:CH3OH on opposite sides of a fine porosity glass frit in a U-shaped cell and passing a 10 mu A current through the cell. The crystal structures of the two anhydrous 8-coordinate complexes, [MCl(3)(15-crown-5)] (M = La, Ce) have been determined. Each contains the lanthanide in a bicapped trigonal prismatic geometry. The two complexes are isostructural crystallizing in the monoclinic space group P2(1)/c with (at 20 degrees C) for M = La: a = 8.217(8), b = 14.298(2), c = 14.341(9)Angstrom, beta = 104.79(8)degrees, and D-calc = 1.90 g cm(-3) for Z = 4; for M = Ce: a = 8.208(9), b = 14.263(6), c = 14.270(8)Angstrom, beta = 104.74(7)degrees, and D-calc = 1.92 g cm(-3) for Z = 4. Direct reaction of ErCl3.6H(2)O with 15-crown-5 in 3:1 CH3CN:CH3OH resulted in the crystallization of the second sphere hydrogen bonded complex [Er(OH2)(8)]Cl-3.15-crown-5. This complex is monoclinic, P2(1)/n with (at 18 degrees C) a = 9.193(3), b = 17.235(9), c = 15.216(5)Angstrom, beta = 92.48(3)degrees, and D-calc = 1.76 g cm(-3) for Z = 4. The Er3+ ion is dodecahedral.

  DOI：

  10.1007/bf01666733