iron monocarbide | 12069-60-2

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机过渡金属化合物
• 英文名称: iron monocarbide
• 英文别名: Iron carbide (FeC)；methylidyneiron
• CAS: 12069-60-2
• 化学式: CFe
• 分子量: 67.858
• InChiKey: QMQXDJATSGGYDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.08
• 重原子数：
  2
• 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：

  铁粉 、 methane 以 gaseous matrix 为溶剂， 生成 iron monocarbide
  参考文献：
  名称：

  The low-lying electronic state of FeC observed 3 460 cm−1 above

  摘要：

  Dispersed fluorescence spectra of FeC have been measured for the (I)(3)Delta(3,2) and (III)Omega = 2 states observed in the region of 20 000-23 000 cm(-1) of the LIF spectrum [W.J. Balfour, J. Chem. Phys. 103 (1995) 4046], and omega(e)(X(3)Delta(3)) = 862.9 +/- 6 cm(-1) is determined. The (III)Omega = 2 <-- X(3)Delta(2) system has been reinvestigated with an LIF measurement at a 0.06 cm(-1) resolution, and evidence for Sigma-Pi perturbation in the upper state is presented. In the DF spectra from (I)(3)Delta(2) and (III)Omega = 2, a new electronic state has been observed 3 460 cm(-1) above X(3)Delta(2). The most probable candidate is (5)Pi(2) arising from the configuration...8 sigma(2)3 pi(4)1 delta(2)9 sigma(1)4 pi(1). (C) 1999 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0009-2614(99)00690-9

文献信息

• The low-lying electronic state of FeC observed 3 460 cm−1 above
  作者：Kosuke Aiuchi、Kazuhide Tsuji、Kazuhiko Shibuya

  DOI：10.1016/s0009-2614(99)00690-9

  日期：1999.8

  Dispersed fluorescence spectra of FeC have been measured for the (I)(3)Delta(3,2) and (III)Omega = 2 states observed in the region of 20 000-23 000 cm(-1) of the LIF spectrum [W.J. Balfour, J. Chem. Phys. 103 (1995) 4046], and omega(e)(X(3)Delta(3)) = 862.9 +/- 6 cm(-1) is determined. The (III)Omega = 2 <-- X(3)Delta(2) system has been reinvestigated with an LIF measurement at a 0.06 cm(-1) resolution, and evidence for Sigma-Pi perturbation in the upper state is presented. In the DF spectra from (I)(3)Delta(2) and (III)Omega = 2, a new electronic state has been observed 3 460 cm(-1) above X(3)Delta(2). The most probable candidate is (5)Pi(2) arising from the configuration...8 sigma(2)3 pi(4)1 delta(2)9 sigma(1)4 pi(1). (C) 1999 Elsevier Science B.V. All rights reserved.