iron hydride | 15600-68-7

• 英文名称: iron hydride
• CAS: 15600-68-7
• 化学式: FeH
• 分子量: 56.8549
• InChiKey: VWDRTGQNZKYVEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.27
• 重原子数：
  1.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  五羰基铁 、 氢气 以 neat (no solvent, gas phase) 为溶剂， 生成 iron hydride
  参考文献：
  名称：

  Brown, John M.; Koersgen, Helga; Beaton, Stuart P., Journal of Chemical Physics, p. 1 - 10

  摘要：

  DOI：

文献信息

• Electronic effects in C-H and C-C bond activation. State-specific reactions of FE+ (6D,4F) with methane, ethane, and propane
  作者：Richard H. Schultz、J. L. Elkind、P. B. Armentrout

  DOI：10.1021/ja00210a017

  日期：1988.1

  Reactions of atomic iron ions with methane, ethane, and propane are studied with guided ion beam mass spectrometry. By using different ion sources different electronic states of the ion can be prepared and studied in detail. The first excited state, Fe/sup +/(/sup 4/F), is more reactive than the ground state, Fe/sup +/(/sup 6/D), for all endothermic reactions in all three systems. This result is similar

  使用引导离子束质谱法研究原子铁离子与甲烷、乙烷和丙烷的反应。通过使用不同的离子源，可以制备和详细研究离子的不同电子状态。对于所有三个系统中的所有吸热反应，第一激发态 Fe/sup +/(/sup 4/F) 比基态 Fe/sup +/(/sup 6/D) 更具反应性。这一结果类似于最近对这些状态与 H/sub 2/ 反应的观察结果。通过使用简单的分子轨道参数来解释不同的反应性。相比之下，在低于 0.5 eV 的乙烷和丙烷的放热反应中，Fe/sup +/(/sup 4/F) 的反应效率低于 Fe/sup +/(/sup 6/D)，但在更高的能量下更有效。这种行为是通过势能表面交叉来解释的，由于自旋轨道相互作用，在低动能时避免了势能表面交叉，而在较高能量时允许。最后，对吸热反应阈值行为的分析提供了键解离能，D/sup 0/(Fe/sup +/-CH/sub 3/) = 2.51 +/- 0.10
• Detection of the free radicals FeH, CoH, and NiH by far infrared laser magnetic resonance
  作者：Stuart P. Beaton、K. M. Evenson、Thomas Nelis、John M. Brown

  DOI：10.1063/1.454781

  日期：1988.10
• Rotational analysis and assignment of the 630 nm band system of FeH to the e 6Π–c 6Σ+ transition
  作者：Damian M. Goodridge、Daniel F. Hullah、John M. Brown

  DOI：10.1063/1.475404

  日期：1998.1.8

  An investigation of the electronic spectrum of FeH at ∼630 nm using dispersed and undispersed laser induced fluorescence techniques is reported. Eighty lines have been assigned to the (0,0) vibrational band of the e 6Π–c 6Σ+ transition. The transitions can be arranged in three subbands with all six spin components of the c 6Σ+ state accessed. This has allowed the c 6Σ+ state to be fully characterized and provides parity assignments of individual rotational levels for the first time. The energy levels of the c 6Σ+ state conform approximately to a Hund’s case (a′) coupling scheme with significant Ω-type doubling (1–10 cm−1). An attempt has been made to simulate the levels using an effective Hamiltonian. Although the simulation failed to reproduce the results to within experimental uncertainty (∼0.007 cm−1), the residuals are sufficiently small to confirm the correctness of the assignments.
• Rotational analysis and assignment of the green band system of FeH to the <i>e ⁶Π–a ⁶Δ</i> transition
  作者：Damian M. Goodridge、Robert T. Carter、John M. Brown、Timothy C. Steimle

  DOI：10.1063/1.473531

  日期：1997.3.22

  The technique of laser excitation spectroscopy at Doppler resolution has been used to record bands in the electronic spectrum of FeH around 532 nm. A number of lines were also recorded at sub-Doppler resolution using intermodulated fluorescence spectroscopy. Dispersed fluorescence studies were used extensively to aid the assignment of a total of 153 lines in this region of the spectrum to either the (0,0) or the (0,1) band of the e 6Π–a 6Δ transition. All the assignments from the excitation spectrum obey the selection rule ΔΩ=−1, giving subbands which involve the lowest three spin components in each state; transitions with ΔΩ=0 were seen only in dispersed fluorescence. Term values have been determined for the three components in both the ground vibrational level of the e 6Π electronic state and the first excited vibrational level of the a 6Δ electronic state (those for the v=0 level of the a 6Δ state have been determined previously). This study provides the first characterization of the spin components and the rotational levels of the e 6Π state of FeH. This state is heavily perturbed and exhibits pronounced lambda-type doubling, making it very difficult to model the energy levels using an effective Hamiltonian approach.
• The green system of FeH recorded at ambient temperatures
  作者：David A. Fletcher、Robert T. Carter、John M. Brown、Timothy C. Steimle

  DOI：10.1063/1.459209

  日期：1990.12.15