| 81158-05-6

• CAS: 81158-05-6
• 化学式: AsMo₁₂O₄₀*3C₁₆H₃₆N
• 分子量: 2593.58
• InChiKey: PMPTVSYSKGBHMO-UHFFFAOYSA-K

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

• 作为反应物：
  描述：

  二茂铁 、 以 乙腈 为溶剂， 以71%的产率得到
  参考文献：
  名称：

  Structural and property characterization of two new charge-transfer salts based on Keggin ions and ferrocene

  摘要：

  Two new charge-transfer salts based on ferrocene and Keggin-type anions, [NBU4](6) [Fe(C5H5)(2)] [HAsMo12O40](2) (1) and [NBu4](2)[Fe(C5H5)(2)](2)[HSiMo12O40]center dot 2CH(3)CN (2), were synthesized and their structures were determined by X-ray diffraction analysis. There are different stoichiometries (Keggin anion: ferrocene cation) in 1 and 2, namely, 2:1 and 1:2. There exist complex interactions between the polyanions, and the framework oxygens of anions and the cyclopentadienyl rings of ferrocene. One of two crystallographic asymmetric Keggin ions in 1 is surrounded by four parallel ferrocene cations with the closest distance of framework oxygens of anions and the cyclopentadienyl rings of ferrocene moiety of 3.16 angstrom. Each anion in 2 is surrounded by six parallel ferrocene cations with the close distance of framework oxygens of anion and the cyclopentadienyl rings of ferrocene moiety from 3.197 to 3.401 angstrom. The bond valence sum of Mo atoms in compounds 1 and 2 is in the range of 6.234-6.623 and much larger than 6, which suggests that there is more covalent ingredient between Mo-O in the change-transfer salts owing to the delocalization of one unpaired electron in the reduced Keggin ion. The UV-visible spectra, EPR and CV properties of the salts were also discussed. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2008.12.004
• 作为产物：
  描述：

  arsenic(V) oxide 、 四丁基溴化铵 、 molybdenum(VI) oxide 在 盐酸 、 lithium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成
  参考文献：
  名称：

  Electron delocalization in mixed-valence molybdenum polyanions

  摘要：

  DOI：

  10.1021/ja00375a044