Cu(acetylacetonate)(N,N,N',N'-tetramethylethylenediamine)(H2O)PF6 | 1047663-06-8

• 英文名称: Cu(acetylacetonate)(N,N,N',N'-tetramethylethylenediamine)(H2O)PF6
• 英文别名: Cu(acac)(tmen)(H2O)PF6
• CAS: 1047663-06-8
• 化学式: C₁₁H₂₅CuN₂O₃*F₆P
• 分子量: 441.841
• InChiKey: DZLOHHZGTLYICO-UHFFFAOYSA-N

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

• 作为产物：
  描述：

  Cu(acetylacetonate)(N,N,N',N'-tetramethylethylenediamine)PF6 、 水 以 水 为溶剂， 生成 Cu(acetylacetonate)(N,N,N',N'-tetramethylethylenediamine)(H2O)PF6
  参考文献：
  名称：

  Binding Properties of Solvatochromic Indicators [Cu(X)(acac)(tmen)] (X = PF₆⁻ and BF₄⁻, acac⁻ = Acetylacetonate, tmen = N,N,N′,N′-Tetramethylethylenediamine) in Solution and the Solid State

  摘要：

  The solvatochromic indicator [Cu(acac)(tmen)(H2O)] center dot PF6 (1 center dot H2O) has been synthesized and crystallographically characterized. 1 center dot H2O binds an H2O molecule at the Cu(II) axial site, while the PF6- anion is coordination free. The binding properties of [Cu(PF6)(acac)(tmen)] (1) and [Cu(BF4)(acac)(tmen)] (2) have been investigated in solution and the solid state. The donor number of the PF6- anion (DNPF6) was determined from the UV-vis spectra of 1 in 1,2-dichloroethane. The value of DNPF6 of the PF6- anion is slightly larger than that of the tetraphenylborate anion (BPh4-), which is known as a noncoordinating anion. In the solid state, 1 and 2 reversibly bind and release H2O molecules at the Cu(II) axial sites. The coordinated H2O molecules in 2 are more easily removed than those in 1 because of the strong Lewis basicity of the BF4- anion compared to the PF6- ion. The lower melting point of 1 versus 2 is attributed to the loose binding of the PF6- anions to the Cu(II) centers, which induces the dynamic nature of the crystal.

  DOI：

  10.1021/ic800685z