Barium--fluoromethane (1/1) | 336623-48-4

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 英文名称: Barium--fluoromethane (1/1)
• CAS: 336623-48-4
• 化学式: CH₃BaF
• 分子量: 171.363
• InChiKey: VJVRCLLGFNDHGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  Barium--fluoromethane (1/1) 以 gas 为溶剂， 生成 barium
  参考文献：
  名称：

  Excitation laser fluence effects on the Ba⋯FCH3+hν→BaF+CH3 intracluster reaction

  摘要：

  DOI：

  10.1016/s0009-2614(01)01481-6

文献信息

• Wave packet dynamics on the repulsive potential surface of BaFCH3 excited at 745 nm
  作者：V. Stert、H.-H. Ritze、W. Radloff、K. Gasmi、A. Gonzalez-Ureña

  DOI：10.1016/s0009-2614(02)00266-x

  日期：2002.4

  We studied the time evolution of the wave packet formed by the excitation of the Ba...FCH3 complex with a 120 fs laser pulse at 745 nm to its electronic (A) over bar' state which is repulsive at the ground state geometry and decays to Ba and CH3F fragments. By applying probe pulses with different wavelengths of 400 and 267 nm, respectively, we observed strongly different time dependences of the pump-probe signals for the BaF+ and Ba+ ions determined by the Franck-Condon windows available in both cases. The experimental results are qualitatively confirmed by theoretical studies based on ab initio calculations of the corresponding potential energy surfaces. (C) 2002 Elsevier Science B.V. All rights reserved.
• Excitation laser fluence effects on the Ba⋯FCH3+hν→BaF+CH3 intracluster reaction
  作者：A. González Ureña、K. Gasmi、J. Jiménez、R.F. Lobo

  DOI：10.1016/s0009-2614(01)01481-6

  日期：2002.2