Al(oxalate)(1+) | 117441-45-9

• 英文名称: Al(oxalate)(1+)
• CAS: 117441-45-9
• 化学式: C₂H₈AlO₈
• 分子量: 187.062
• InChiKey: VTOZUPFXOPEKQR-UHFFFAOYSA-L

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：

  aluminum oxalate hydrate 、 水 在 H⁽¹⁺⁾ 作用下， 以 水 为溶剂， 生成 trisoxalato aluminate(3-) 、 Al(oxalate)(1+) 、 Al⁽³⁺⁾*2(C(O)O)2^(2-)*2H₂O=Al((C(O)O)2)2(H₂O)2^(1-)
  参考文献：
  名称：

  Modifying the functional cover of the γ-Al2O3 surface using organic salts of aluminum

  摘要：

  A method is suggested for modifying the surface properties of alumina without changing its chemical composition. The sorption of aluminum complexes with organic acid ligands on the gamma-Al2O3 surface is reported. The thermal decomposition of the adsorbed oxalate complexes yields supported aluminum oxide compounds on the surface of the initial support. This modifies the functional cover of the gamma-Al2O3 surface, altering the proportions of different types of surface hydroxyl groups, reducing their total number, and lowering the concentration of weak Lewis acid sites.

  DOI：

  10.1134/s0023158411040094

文献信息

• Spectroscopic studies of aluminum and gallium complexes with oxalate and malonate in aqueous solution
  作者：Maria Clausén、Lars-Olof Öhman、Kristina Axe、Per Persson

  DOI：10.1016/s0022-2860(03)00026-7

  日期：2003.3

  number of ligands coordinated to Ga(III) was varied. Based on the very close resemblance of IR spectra of oxalate and malonate complexes of Al(III), and the corresponding complexes of Ga(III), it is believed that the local structures of the Al(III) complexes are similar to those of the Ga(III) complexes in terms of ligand coordination modes and distortions. This conclusion was corroborated by results from

  通过 Ga K-edge EXAFS 光谱研究了草酸和丙二酸水溶液中 Ga(III) 的局部结构。不管配位体的数量和类型如何，EXAFS 结果显示由六个氧原子组成的非常规则的第一配位壳。来自更远原子的散射路径显示草酸盐和丙二酸盐都形成单核螯合物结构，其中每个羧酸根基团的一个氧与 Ga(III) 结合。同样，随着与 Ga(III) 配位的配体数量的变化，键距的变化很小，配位模式也没有变化。基于 Al(III) 的草酸和丙二酸配合物以及 Ga(III) 的相应配合物的红外光谱非常相似，据信，就配体配位模式和畸变而言，Al(III)配合物的局部结构与Ga(III)配合物的局部结构相似。这一结论得到了理论频率计算结果的证实。
• X-ray Absorption Spectroscopy of Aqueous Aluminum-Organic Complexes
  作者：Michael B. Hay、Satish C. B. Myneni

  DOI：10.1021/jp909656q

  日期：2010.5.27

  Aqueous-phase X-ray absorption near-edge structure (XANES) spectra were collected on dissolved Al complexes with organic ligands, including desferrioxamine B, EDTA, acetohydroxamate, malate, oxalate, and salicylate. Spectral interpretations were made using the density functional theory-based modeling package StoBe. The goals of this work were to study the geometric and electronic structural characteristics of these complexes relative to Al(H2O)(6)(3+) and to examine the utility of the aqueous Al XANES technique as a tool for probing Al speciation and structure. In the case of EDTA, aqueous Fourier-transform infrared spectroscopy was also used to corroborate the structures of the Al(EDTA)(-) and AlOH(EDTA)(2-) complexes. Synthetic XANES spectra calculated with StoBe reproduced the observed spectral differences between Al(H2O)(6)(3+), Al(dfoB)(+), and Al(EDTA)(-). The narrower XANES feature observed for Al(dfoB)(+) relative to Al(H2O)(6)(3+) can be attributed to a weaker splitting of the Al 3p - O 2p interactions in the former, while Al(EDTA)(-) exhibits split Al 3p - ligand interactions that likely result from the mixed O/N coordination. In complexes with mixed aqua/organic-oxygen ligation (Al-acetohydroxamate, Al-malate, Al-oxalate, and Al-salicylate), spectra exhibit linear, systematic changes in peak width as a function of H2O to organic ligand ratio in the Al coordination sphere. These results highlight the sensitivity of the aqueous Al K-edge XANES spectrum to coordination environment and demonstrate its utility as an experimental probe for future studies of Al speciation in complex solutions.