sulfur chloride fluoride | 64422-26-0

• 英文名称: sulfur chloride fluoride
• 英文别名: Chloro thiohypofluorite
• CAS: 64422-26-0
• 化学式: ClFS
• 分子量: 86.5174
• InChiKey: ZPRMHHYTEGSOBL-UHFFFAOYSA-N

物化性质

• 密度：
  1.458±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  3
• 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：
  25.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  氟酸根硫酸,硫酸酐和硫代次氯亚酸酸(9CI) 以 further solvent(s) 为溶剂， 生成 sulfur chloride fluoride
  参考文献：
  名称：

  Willner, Helge, Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1984, vol. 39, # 3, p. 314 - 316

  摘要：

  DOI：

文献信息

• Fourier-transform microwave spectrum, structure, harmonic force field, and hyperfine constants of sulfur chloride fluoride, ClSF
  作者：Jürgen Preusser、Michael C. L. Gerry

  DOI：10.1063/1.474061

  日期：1997.6.22

  The rotational spectrum of sulfur choride fluoride, ClSF, has been observed for the first time in the frequency range 8–26 GHz by means of a pulsed molecular jet Fourier-transform microwave spectrometer. The unstable sample molecule has been prepared using a pulsed electrical discharge in jets containing a mixture of SF6 and SCl2 in Ne. Besides the parent species 35Cl32S19F, the isotopomers 37Cl32S19F and 35Cl34S19F could be observed in natural abundance. Rotational constants and quartic centrifugal distortion constants as well as nuclear quadrupole coupling constants due to 35Cl and 37Cl and spin–rotation constants due to 35Cl, 37Cl, and 19F are given. The data were used for the determination of r0, rΔP, rs structural parameters. Additionally, the new data were used for the refinement of the molecular harmonic force field. Results from those harmonic force field calculations were applied in the evaluation of the ground-state average structure, rz, and the estimation of the equilibrium structure, re. The rs structure is r(SF)=160.653(162) pm, r(SCl)=199.437(65) pm, and ∠(ClSF)=100.732(81)°. The diagonal elements of the 35Cl/37Cl quadrupole coupling tensors have been obtained, and are interpreted in terms of the bonding at 35Cl/37Cl. Negative 19F spin–rotation constants suggest a close analogy of the electronic structures of ClSF and SF2.