sulfur hexafluoride-hydrogen fluoride-hydrogen fluoride | 131153-21-4

• 英文名称: sulfur hexafluoride-hydrogen fluoride-hydrogen fluoride
• 英文别名: Hexafluoro-lambda6-sulfane;hydrofluoride；hexafluoro-λ6-sulfane;hydrofluoride
• CAS: 131153-21-4
• 化学式: 2FH*F₆S
• 分子量: 186.069
• InChiKey: YIOVLZNTAKLBQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.32
• 重原子数：
  8
• 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：
  1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  氢氟酸 、 六氟化硫 以 solid matrix 为溶剂， 生成 sulfur hexafluoride-hydrogen fluoride-hydrogen fluoride 、 sulfur hexafluoride-hydrogen fluoride-hydrogen fluoride
  参考文献：
  名称：

  固体氩气中六氟化铀，六氟化钨，六氟化钼和六氟化硫与氟化氢的红外光谱

  摘要：

  UF6, WF6, MoF6, and SF6 have been codeposited with hydrogen fluoride in excess argon at 12 K. The FTIR spectra of UF6, and HF revealed a strong UF6-HF complex absorption at 3848 cm-1 along with a weak, broad band at 3903 cm-1 due to the UF6-FH complex. Only one 1:2 complex with a UF6-H(a)F-H(b)F arrangement was detected at higher HF concentrations and sample annealings. Similarly, the HF interaction with tungsten hexafluoride formed two 1:1 complexes. However, the 3884-cm-1 band due to the anti-hydrogen-bonded complex WF6-FH was considerably stronger than the WF6-Hf absorption at 3911 cm-1. Increasing the HF concentration produced a single 1:2 complex with a WF6-FH(b)-FH(a) structure. The band positions and relative intensities for the MoF6 complexes with HF and DF were very comparable to their WF6 counterparts. This change in the dominant binding interaction for these HF-metal hexafluoride complexes was anticipated due to the significant difference in the fluoride affinities of UF6 and WF6 (46 and 69 kcal/mol, respectively). In sharp contrast to the metal hexafluorides, SF6 and HF produced a weak triplet at 3905, 3903, and 3901 cm-1 and a strong doublet at 3819 and 3818 cm-1, which are tentatively assigned to the SF6-HF and SF6-H(a)F-H(b)F structures, respectively. Finally, 1:3 and 1:4 complexes were observed with each hexafluoride, and the structures of these HF complexes are determined by the cyclic nature of the HF polymers.

  DOI：

  10.1021/j100156a028