Et4N fac-[Fe(II)(CN)2(CO)3I] | 1174416-01-3

• 英文名称: Et4N fac-[Fe(II)(CN)2(CO)3I]
• 英文别名: [Et4N][fac-Fe(CO)3(CN)2I]
• CAS: 1174416-01-3
• 化学式: C₅FeIN₂O₃*C₈H₂₀N
• 分子量: 449.072
• InChiKey: PKNWUWWHXAYZSZ-UHFFFAOYSA-M

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：

  Et4N fac-[Fe(II)(CN)2(CO)3I] 、 氰化四乙基铵 以 乙腈 为溶剂， 生成 Et4N fac-[Fe(II)(CN)3(CO)3]
  参考文献：
  名称：

  Synthesis of fac-[FeII(CN)(CO)3I2]− and chemistry of the fac-[FeII(CN)x(CO)3I(3−x)]− series (x=1–3)

  摘要：

  Whole series of fac-[Fe-II(CN)(x)(CO)(3)I(3-x)](-) (x=1-3) generated by stepwise replacement of iodide from foc-[Fe-II(CO)(3)I-3](-) by cyanide were isolated and structurally characterized. The infrared trend of this series demonstrates the effect of the electronic properties of ligands on the coordinated CO stretching frequencies. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2012.01.028
• 作为产物：
  描述：

  BzPh3N fac-[Fe(II)(CN)(CO)3I2] 、 氰化四乙基铵 以 乙腈 为溶剂， 生成 Et4N fac-[Fe(II)(CN)2(CO)3I]
  参考文献：
  名称：

  Synthesis of fac-[FeII(CN)(CO)3I2]− and chemistry of the fac-[FeII(CN)x(CO)3I(3−x)]− series (x=1–3)

  摘要：

  Whole series of fac-[Fe-II(CN)(x)(CO)(3)I(3-x)](-) (x=1-3) generated by stepwise replacement of iodide from foc-[Fe-II(CO)(3)I-3](-) by cyanide were isolated and structurally characterized. The infrared trend of this series demonstrates the effect of the electronic properties of ligands on the coordinated CO stretching frequencies. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2012.01.028

文献信息

• Kinetics study of the substitution reaction of fac-[FeII(CN)2(CO)3I]− with PPh3
  作者：Benjamin Schwartz、Ofir Azran、Jonathan Solaimanzadeh、Joshua Fluss、Wenfeng Lo、Jianfeng Jiang

  DOI：10.1016/j.ica.2011.01.069

  日期：2011.5

  Substitution reaction of fac-[(FeCN)-C-II()(2)(CO)(3)I] with triphenylphosphine (PPh3) produced mono phosphine substituted complex cis-cis-[Fe-II(CN)(2)(CO)(2)(PPh3)I]. Crystal structure of the product showed that carbonyl positioned trans-to iodide was replaced by PPh3. The substitution reaction was monitored by quantitative infrared spectroscopic method, and the rate law for the substitution reaction was determined to be rate = k[[Fe-II(CN)(2)(CO)(2)(PPh3)I]-][PPh3]. Transition state enthalpy and entropy changes were obtained from Eyring equation k = (k(B)T/h)exp(-Delta H-not equal/RT + Delta S-not equal/R) with Delta H-not equal = 119(4) kJ mol(-1) and Lambda S-not equal = 102(10) J mol(-1) K-1. Positive transition state entropy change suggests that the substitution reaction went through a dissociative pathway. (C) 2011 Elsevier B.V. All rights reserved.