iron dihydride | 33485-98-2

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 各种混合金属/非金属
• 英文名称: iron dihydride
• 英文别名: Fe-dihydride
• CAS: 33485-98-2
• 化学式: FeH₂
• 分子量: 57.8629
• InChiKey: FUEZNWLRTWZOHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.54
• 重原子数：
  1
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  氢气 、 铁粉 以 solid matrix 为溶剂， 生成 iron dihydride
  参考文献：
  名称：

  光可逆的氧化加成，还原消除反应铁+分子氢.dblharw。低温基质中的氢化铁（FeH2）

  摘要：

  DOI：

  10.1021/j150648a002

文献信息

• Photochemistry of iron atoms and dimers with ethylene in cryogenic matrixes. The FT-IR spectrum of ethenyliron hydride
  作者：Zakya H. Kafafi、Robert H. Hauge、John L. Margrave

  DOI：10.1021/ja00311a054

  日期：1985.12
• The infrared spectrum of FeH2, studied in the gas phase by laser magnetic resonance
  作者：Helga Körsgen、Wolfgang Urban、John M. Brown

  DOI：10.1063/1.478240

  日期：1999.2.22

  The infrared spectrum of the FeH2 radical in the gas phase has been studied in detail between 1605 and 1730 cm−1, by the technique of carbon monoxide laser magnetic resonance. The molecule is formed in an electric discharge through a mixture of H2 and Fe(CO)5 in helium. Many resonances are observed and assigned to transitions in the fundamental band of the antisymmetric stretching vibration 301 and in the associated hot band 211301. In the latter case, each vibrational level is split into two vibronic components. The measurements are used to determine the parameters of an effective Hamiltonian which is capable of modeling the data to within experimental error. The values determined for the band origin and zero-point vibrational constant are: ν3=1674.7203(3) cm−1 and B0=3.075 23(5) cm−1. The data show that the molecule is linear in its ground state and are consistent with an assignment of this state as 5Δg.
• The identification of the FeH₂ radical in the gas phase by infrared spectroscopy
  作者：Helga Körsgen、Petra Mürtz、Klaus Lipus、Wolfgang Urban、Jonathan P. Towle、John M. Brown

  DOI：10.1063/1.471180

  日期：1996.3.22

  The FeH2 radical has been detected in the gas phase through the observation of transitions in the fundamental band of the antisymmetric stretching vibration ν3. The molecule was generated in an electrical discharge through a mixture of hydrogen and iron pentacarbonyl in helium and the signals were recorded by the technique of laser magnetic resonance. It is established that the molecule is linear in its ground state and that this state is 5Δ in character; theoretical calculations suggest that it has gerade symmetry. The vibrational band origin is determined to be 1674.7196(4) cm−1 and the rotational constant for the (0,0,0) level is 3.01328(3) cm−1. This latter value corresponds to an r0 Fe–H bond length of 0.1665 nm.
• The photoreversible oxidative-addition, reductive-elimination reactions iron + molecular hydrogen .dblharw. iron hydride (FeH2) in low-temperature matrixes
  作者：Geoffrey A. Ozin、John G. McCaffrey

  DOI：10.1021/j150648a002

  日期：1984.2