[UO2(tfa)2(EtOH)] | 87658-25-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [UO2(tfa)2(EtOH)]
• 英文别名: [UO2(4,4,4-trifluoro-1-(2-furyl)-1,3-butanedione(-H)-O,O')2(ethanol)]
• CAS: 87658-25-1
• 化学式: C₁₈H₁₄F₆O₉U
• 分子量: 726.323
• InChiKey: LPVLWFBSTCPTHH-UHFFFAOYSA-N

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：

  乙醇 、 [UO2(tfa)2(H2O)] 以 乙醇 为溶剂， 生成 [UO2(tfa)2(EtOH)]
  参考文献：
  名称：

  3D-supermolecular structure and electronic absorption of uranyl β-diketone [UO2(tfa)2(L)] (L=H2O, OHCH2CH3) complex

  摘要：

  Uranyl beta-diketone complex UO2(tfa)(2)center dot H2O (3) (tfa = deprotonated 4,4,4,-trifluoro-1-(2-furyl)-1,3-butanedione) has been successfully prepared by reacting UO2(OAc)(2)center dot 2H(2)O (OAc = O2CMe) with two equivalents of 4.4,4,-trifluoro-1-(2-furyl)-1,3-butanedione (H-tja: 1) in ethanol. Complex 3 was characterized by elemental analysis and FT-IR. Dissolving 3 in ethanol gave during several days single crystals of [UO2 (tfa)(2)(OHCH2CH3)] (4), wherein one ethanol molecule replaces aqua ligand. The solid-state structure of 4 was determined by a single X-ray analysis. Crystal data of C18H14F6O9U: a = 13.7163(7), b = 20.7528(10), c = 7.4664(4) angstrom, beta = 90.818(4)degrees, space group P2(1)/c, Z = 4 and d(calc) = 2.270 mg/m(3). Complex 4 adopted a distorted pentagonal bipyramidal geometry. The coordinated oxygen atoms of tja (deprotonated-1) ligands are occupying equatorial positions, while the oxygen atoms of UO22+ are still in the axial positions. The formation of the pi-pi interactions together with hydrogen bonded result in the set up a 3D-supramolecular architecture. The electronic absorption of 3 is reported and discussed. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.03.040