| 69754-89-8

• CAS: 69754-89-8
• 化学式: FS
• 分子量: 51.0644
• InChiKey: ZSMKTTGVMKWZCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.42
• 重原子数：
  2.0
• 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

• 作为反应物：
  描述：

  以 gaseous matrix 为溶剂， 生成 硫化氢
  参考文献：
  名称：

  An experimental and theoretical study of SF q+ (q = 1−3) ions

  摘要：

  Ion translational energy spectrometry has been applied to study collision induced excitation/de-excitation and dissociation of positively charged ions of the radical SF(q+) for q = 1, 2 and 3. Doubly and triply charged molecular ions are found to be metastable, with the lower limit of their lifetimes against dissociation being almost-equal-to 1-mu-s. Ab initio molecular orbital calculations of the potential energy curves of the ground and low-lying excited electronic states of neutral SF and SF(q+) ions have been calculated using quantumchemical methods in which configuration interaction effects are accounted for by perturbative techniques and via the coupled cluster approach.

  DOI：

  10.1016/0301-0104(91)89047-e
• 作为产物：
  描述：

  六氟化硫 以 gaseous matrix 为溶剂， 生成
  参考文献：
  名称：

  An experimental and theoretical study of SF q+ (q = 1−3) ions

  摘要：

  Ion translational energy spectrometry has been applied to study collision induced excitation/de-excitation and dissociation of positively charged ions of the radical SF(q+) for q = 1, 2 and 3. Doubly and triply charged molecular ions are found to be metastable, with the lower limit of their lifetimes against dissociation being almost-equal-to 1-mu-s. Ab initio molecular orbital calculations of the potential energy curves of the ground and low-lying excited electronic states of neutral SF and SF(q+) ions have been calculated using quantumchemical methods in which configuration interaction effects are accounted for by perturbative techniques and via the coupled cluster approach.

  DOI：

  10.1016/0301-0104(91)89047-e

文献信息

• Dissociative and double photoionization of SF₆in the 75–125 eV region
  作者：Toshio Masuoka、James A. R. Samson

  DOI：10.1063/1.441882

  日期：1981.11.15

  Partial cross sections for the singly charged fragments [SFm+(m = 0–5)] and F+ and the doubly charged fragments [SFn2+(n = 0–4)] in SF6 have been measured using a time-of-flight mass spectrometer and synchrotron radiation in the 75–125 eV region. The mass spectrometer collected a constant fraction of all the fragments produced including energetic ones, thus providing true fragmentation yields. The relatively large production rate of double ionization is demonstrated.