二羰基铁阳离子 | 35038-15-4

• 中文名称: 二羰基铁阳离子
• 英文名称: iron dicarbonyl cation
• CAS: 35038-15-4
• 化学式: C₂FeO₂
• 分子量: 111.868
• InChiKey: ZMXIIPYYCGNOQH-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

• 作为反应物：
  描述：

  二羰基铁阳离子 、 甲醚 以 neat (no solvent) 为溶剂， 生成 Fe(dimethylether)2(1+)
  参考文献：
  名称：

  选择性制备的带有单齿和双齿醚配体的阳离子铁配合物的结构表征，采用红外光解光谱法

  摘要：

  在800–2000 cm -1范围内研究了气态离子Fe（CH 3 OCH 3）2 +和Fe（CH 3 OCH 2 CH 2 OCH 3）n +（n = 1–2）的红外光谱。通过使用自由电子激光器CLIO和FTICR质谱仪的耦合来确定能量范围，并与从头算量子化学计算得出的光谱进行比较。实验和理论红外光谱之间的匹配看起来非常好，实验光谱对应于通过计算预测的最稳定的结构。已经证实官能团的特征吸收带，使得该偶联成为气相中阐明结构的非常有力的工具。

  DOI：

  10.1016/j.cplett.2003.12.080
• 作为产物：
  描述：

  以73.2%的产率得到Pubchem_71341864
  参考文献：
  名称：

  Strobel; Ridge, Inorganic Chemistry, 1988, vol. 27, # 5, p. 891 - 893

  摘要：

  DOI：

文献信息

• Successive reactions of iron carbonyl cations with H2O: influence of a buffer gas on ligand substitution rate
  作者：S. Le Caër、M. Heninger、H. Mestdagh

  DOI：10.1016/s0009-2614(01)01498-1

  日期：2002.2

  The kinetics of the successive ligand substitutions in the Fe(CO)n+/H2O systems (n=1–5) are studied using a triple cell Fourier Transform Ion Cyclotron Resonance spectrometer. For n=3 and 4, substitution of the last ligand is not observed and the terminal substitution products are Fe(CO)(H2O)n−1+; a second channel in which two CO are simultaneously replaced by a H2O molecule is also observed. The internal

  使用三单元傅里叶变换离子回旋共振光谱仪研究了Fe（CO）n + / H 2 O系统（n = 1–5）中连续配体取代的动力学。对于n＝ 3和4，未观察到最后一个配体的取代，并且末端取代产物为Fe（CO）（H 2 O）n -1 +。还观察到第二个通道，其中两个CO同时被H 2 O分子取代。Fe（CO）n +离子的内能对反应性没有显着影响。在Fe（CO）2 + / H 2中在O系统中，第二次取代反应对反应的Fe（CO）（H 2 O）+离子的能量显示出显着的负依赖性，这已通过对反应池中可变氩气压力的影响进行的定量研究得到证实。
• Metal-promoted carbon-carbon bond formation in the gas phase: reaction of iron carbonyl cations with allyl chloride
  作者：Helene Mestdagh、Christian Rolando

  DOI：10.1021/ja00191a080

  日期：1989.4
• Reactions of laser-ablated iron atoms and cations with carbon monoxide: Infrared spectra of FeCO+, Fe(CO)2+, Fe(CO)x, and Fe(CO)x− (x=1–4) in solid neon
  作者：Mingfei Zhou、Lester Andrews

  DOI：10.1063/1.478970

  日期：1999.6

  Laser-ablated iron atoms, cations, and electrons have been reacted with CO molecules during condensation in excess neon. The FeCO molecule is observed at 1933.7 cm−1 in solid neon. Based on isotopic shifts and density functional calculations, the FeCO molecule has the same Σ−3 ground state in solid neon that has been observed at 1946.5 cm−1 in a recent high resolution gas phase investigation [Tanaka et al., J. Chem. Phys. 106, 2118 (1997)]. The C–O stretching vibration of the Fe(CO)2 molecule is observed at 1917.1 cm−1 in solid neon, which is in excellent agreement with the 1928.2 cm−1 gas phase value for the linear molecule. Anions and cations are also produced and trapped, absorptions at 1782.0, 1732.9, 1794.5, and 1859.7 cm−1 are assigned to the linear FeCO−, Fe(CO)2−, trigonal planar Fe(CO)3−, and C3v Fe(CO)4− anions, respectively, and 2123.0, 2134.0 cm−1 absorptions to the linear FeCO+ and Fe(CO)2+ cations. Doping these experiments with CCl4 virtually eliminates the anion absorptions and markedly increases the cation absorptions, which confirms the charge identifications. Higher iron carbonyl Fe(CO)3, Fe(CO)4, and Fe(CO)5 absorptions are produced on photolysis.