cis-[PPh4][NEt4][Fe(II)(CN)4(CO)2] | 399017-52-8

• 英文名称: cis-[PPh4][NEt4][Fe(II)(CN)4(CO)2]
• CAS: 399017-52-8
• 化学式: C₆FeN₄O₂*C₈H₂₀N*C₂₄H₂₀P
• 分子量: 685.589
• InChiKey: SPCVTKZQCKESSN-UHFFFAOYSA-N

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：

  [Ph4P]-fac-[Fe(II)(CN)3(CO)3] 、 氰化四乙基铵 以 二氯甲烷 为溶剂， 生成 cis-[PPh4][NEt4][Fe(II)(CN)4(CO)2]
  参考文献：
  名称：

  fac-[Fe^II(CN)₃(CO)₃]^- and cis-[Fe^II(CN)₄(CO)₂]^2-:  New Members of the Class of [Fe^II(CN)_x(CO)_y] Compounds

  摘要：

  The reaction of Fe(CO)(4)I(2) with NaCN or KCN in methanol gives M[Fe(II)(CN)(3)(CO)(3)] (M = Na, K), which can be converted to [Ph(4)E][Fe(II)(CN)(3)(CO)(3)] (E = P, As). The structure of the fac-[Fe(II)(CN)(3)(CO)(3)](-) (1) anion was established by the X-ray crystal structures of K-1 and [Ph(4)As]-1.H(2)O. Compound 1 has also been characterized by IR, Raman, and (13)C NMR. The coupling of the CO and CN stretching modes in the vibrational spectra of 1 have been analyzed. The reaction of Na-1 with NaCN gives Na(2) cis-[Fe(II)(CN)(4)(CO)(2)] (Na-2), which has been structurally characterized as [Ph(4)P][Et(4)N]-2. Compounds 1 and 2 are additional members of the series of compounds of general formula [Fe(II)(CN)((6-x))(CO)(x)](x-4). [Fe(CN)(x)(CO)(y)] compounds are of interest due to the occurrence of such coordination modes in hydrogenase enzymes.

  DOI：

  10.1021/ic015604y