thullium(III) trifluoroacetate trihydrate | 920006-93-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: thullium(III) trifluoroacetate trihydrate
• CAS: 920006-93-5
• 化学式: C₁₂H₁₂F₁₈O₁₈Tm₂
• 分子量: 1124.06
• InChiKey: YPFFXFZAJHVMQV-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  thullium(III) trifluoroacetate trihydrate 以 neat (no solvent) 为溶剂， 生成 氟化铥(III)
  参考文献：
  名称：

  Thulium(III) trifluoroacetates Tm(CF3COO)3 · 3H2O and Tm2(CF3COO)6 · 2CF3COOH · 3H2O: Synthesis and crystal structure

  摘要：

  Thulium trifluoroacetate compounds have been synthesized, Tm(CF3COO)(3) center dot 3H(2)O (I) and Tm-2(CF3COO)(6) center dot 2CF(3)COOH center dot 3H(2)O (II). The structure of I has been refined by the Rietveld method on the basis of the structural data for Cd(CF3COO)(3) center dot 3H(2)O. The structure of II has been solved in a single-crystal X-ray diffraction study. Compound I has been studied by thermal analysis. Crystals of I and II are monoclinic: for I a = 9.062(2) angstrom, b = 18.678(3) angstrom, c = 9.687(2) angstrom, beta = 113.93(1)degrees, Z = 2, space group P2(1)/c, R (1) = 0.062; for II a = 8.560(4) angstrom, b = 19.866(5) angstrom, c = 20.813(7) angstrom, beta = 101.69(4)degrees, Z = 8, space group C2/c, R (1) = 0.0392. In the molecular structure of I, thulium atoms are bonded in pairs through four bridging trifluoroacetate anions to form dimers. The coordination polyhedron of the thulium atom also includes the three O atoms of the water molecules and the O atom of the monodentate trifluoroacetate group; the coordination number of the thulium atom is eight. In the chain structure of II, there are two crystallographically independent thulium atoms with coordination numbers 8 and 9. The coordination polyhedra of the Tm(1) and Tm(2) atoms are a distorted monocapped tetragonal antiprism and a distorted tetragonal antiprism, respectively. The Tm-O bond lengths are in the range 2.28(1)-2.85(2) angstrom. The thulium atoms are bound into chains through carboxylate groups. These chains are linked into layers through hydrogen bonds.

  DOI：

  10.1134/s0036023606040061
• 作为产物：
  描述：

  thulium acetate hydrate 、 三氟乙酸 以 三氟乙酸 为溶剂， 生成 thullium(III) trifluoroacetate trihydrate
  参考文献：
  名称：

  Thulium(III) trifluoroacetates Tm(CF3COO)3 · 3H2O and Tm2(CF3COO)6 · 2CF3COOH · 3H2O: Synthesis and crystal structure

  摘要：

  Thulium trifluoroacetate compounds have been synthesized, Tm(CF3COO)(3) center dot 3H(2)O (I) and Tm-2(CF3COO)(6) center dot 2CF(3)COOH center dot 3H(2)O (II). The structure of I has been refined by the Rietveld method on the basis of the structural data for Cd(CF3COO)(3) center dot 3H(2)O. The structure of II has been solved in a single-crystal X-ray diffraction study. Compound I has been studied by thermal analysis. Crystals of I and II are monoclinic: for I a = 9.062(2) angstrom, b = 18.678(3) angstrom, c = 9.687(2) angstrom, beta = 113.93(1)degrees, Z = 2, space group P2(1)/c, R (1) = 0.062; for II a = 8.560(4) angstrom, b = 19.866(5) angstrom, c = 20.813(7) angstrom, beta = 101.69(4)degrees, Z = 8, space group C2/c, R (1) = 0.0392. In the molecular structure of I, thulium atoms are bonded in pairs through four bridging trifluoroacetate anions to form dimers. The coordination polyhedron of the thulium atom also includes the three O atoms of the water molecules and the O atom of the monodentate trifluoroacetate group; the coordination number of the thulium atom is eight. In the chain structure of II, there are two crystallographically independent thulium atoms with coordination numbers 8 and 9. The coordination polyhedra of the Tm(1) and Tm(2) atoms are a distorted monocapped tetragonal antiprism and a distorted tetragonal antiprism, respectively. The Tm-O bond lengths are in the range 2.28(1)-2.85(2) angstrom. The thulium atoms are bound into chains through carboxylate groups. These chains are linked into layers through hydrogen bonds.

  DOI：

  10.1134/s0036023606040061