Nd(1,1,1,5,5,5-hexafluoroacetylacetonato)3(2,2'-bipyrimidine) | 943726-90-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Nd(1,1,1,5,5,5-hexafluoroacetylacetonato)3(2,2'-bipyrimidine)
• 英文别名: [Nd(hfa)3(2,2'-bipyrimidine)]；[Nd(hfa)3(bpm)]；Nd(hfa)3bpm
• CAS: 943726-90-7
• 化学式: C₂₃H₉F₁₈N₄NdO₆
• 分子量: 923.559
• InChiKey: BUWOLGKLGYOCLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  neodymium(III) chloride hexahydrate 、 六氟乙酰丙酮 、 2 2'-联嘧啶 在 NaOH 作用下， 以 乙醇 、 水 为溶剂， 以53%的产率得到Nd(1,1,1,5,5,5-hexafluoroacetylacetonato)3(2,2'-bipyrimidine)
  参考文献：
  名称：

  Neodymium, Gadolinium, and Terbium Complexes Containing Hexafluoroacetylacetonate and 2,2‘-Bipyrimidine:  Structural and Spectroscopic Characterization

  摘要：

  Lanthanide complexes of the form Ln(hfa)(3)bpm (where Ln = Nd(III), Gd(III), or Tb(III); hfa = 1,1,1,5,5,5-hexafluoroacetylacetone and bpm = 2,2'-bipyrimidine) have been structurally characterized. The Nd and Gd complexes form one-dimensional arrays when X-ray-quality crystals are grown by the slow evaporation of concentrated solutions of the complexes. Each metal is 10-coordinate with repeating Ln-bpm units. The Tb complex does not form a one-dimensional array under these conditions. Its structure is 9-coordinate with the ninth position occupied by a covalently bonded water molecule that is hydrogen-bonded to the bpm group from another complex in solution. Luminescent studies show that the Nd complex undergoes nonradiative relaxation through solvent vibrational deactivation, while the lowest excited state of the Gd complex, P-6(7/2), is higher in energy than the T, state of the hfa ligand, making luminescence improbable for both of these complexes. In contrast, the Tb complex emits in the visible region of the spectrum when solutions of the complex are excited at 304 nm associated with the pi-pi* transition of the hfa ligand. Emission lines corresponding to transitions from the D-5(4) state to the F-7(j) manifold of the Tb(III) are observed. The intensity of these emissions decreases as temperature is increased. Lifetime measurements of the Tb monometallic complex fit to a monoexponential with the lifetime decreasing as the temperature is increased.

  DOI：

  10.1021/ic701805t

文献信息

• Dinuclear lanthanide(III) complexes containing β-diketonate terminal ligands bridged by 2,2′-bipyrimidine
  作者：Deepika D’Cunha、Daniel Collins、Gregory Richards、Gilford S. Vincent、Shawn Swavey

  DOI：10.1016/j.inoche.2006.06.006

  日期：2006.10

  polyazine bridging ligand 2,2′-bipyrimidine (bpm) and β-diketonate terminal ligands yield 16 new monometallic and bimetallic complexes of the form Ln(tl) 3 bpm and [Ln(tl) 3 ] 2 bpm respectively, where tl = terminal ligand. Formation of the dinuclear complex is governed by the size of the lanthanide metal and the type of terminal ligand. The smallest Ln III metals form dinuclear complexes when the terminal

  摘要 镧系元素 (III) (Ln III ) 盐与多嗪桥连配体 2,2'-双嘧啶 (bpm) 和 β-二酮酸酯末端配体的反应产生了 16 种新的单金属和双金属配合物，形式为 Ln(tl) 3 bpm 和 [ Ln(tl) 3 ] 分别为2 bpm，其中tl = 末端配体。双核配合物的形成取决于镧系金属的大小和末端配体的类型。当末端配体由芳香族和氟基团组成时，最小的 Ln III 金属形成双核络合物。无论末端配体如何，最大的 Ln III 金属（Pr 和 Nd）仅与 bpm 桥连配体形成单核配合物。配合物的电子光谱由与末端配体相关的 π−π * 跃迁控制，发射光谱由 4f-4f 镧系元素跃迁引起。