ammonium fluorosulfite | 129368-06-5

• 英文名称: ammonium fluorosulfite
• CAS: 129368-06-5
• 化学式: FO₂S*H₄N
• 分子量: 101.102
• InChiKey: BVAQBPIRQOJYNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.13
• 重原子数：
  5.0
• 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：
  76.63
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  ammonium fluorosulfite 以 neat (no solvent) 为溶剂， 生成 1,2,3,4,5,6,7,8-八硫杂环辛烷 、 氟化铵 、 全氟辛基磺酸铵
  参考文献：
  名称：

  Vibrational Spectra and Structural Aspects of Fluorosulfites

  摘要：

  The Raman and infrared spectra of the fluorosulfites of K+, Rb+, Cs+, NH4+, and Me4N+ have been examined. Previous assignment of the fundamental;vibrations is revised, and an ab initio study of the SO2F- anion is presented For the pyramidal anion of symmetry C-s, distances of r(S-O) = 1.458 Angstrom and r(S-F) 1.698 Angstrom have been calculated. The heat of formation of Me4NSO2F (-14.0 kcal/mol) was derived from the dissociation pressure of the salt. In addition, the lattice energy of Me4NF (159.2 kcal/mol) was calculated from a thermochemical cycle. The thermochemical data are discussed in terms of reactivity of the fluorides and stability of the fluorosulfites.

  DOI：

  10.1021/ic970315o
• 作为产物：
  描述：

  氟化铵 、 二氧化硫 以 二氧化硫 为溶剂， 以99%的产率得到ammonium fluorosulfite
  参考文献：
  名称：

  Vibrational Spectra and Structural Aspects of Fluorosulfites

  摘要：

  The Raman and infrared spectra of the fluorosulfites of K+, Rb+, Cs+, NH4+, and Me4N+ have been examined. Previous assignment of the fundamental;vibrations is revised, and an ab initio study of the SO2F- anion is presented For the pyramidal anion of symmetry C-s, distances of r(S-O) = 1.458 Angstrom and r(S-F) 1.698 Angstrom have been calculated. The heat of formation of Me4NSO2F (-14.0 kcal/mol) was derived from the dissociation pressure of the salt. In addition, the lattice energy of Me4NF (159.2 kcal/mol) was calculated from a thermochemical cycle. The thermochemical data are discussed in terms of reactivity of the fluorides and stability of the fluorosulfites.

  DOI：

  10.1021/ic970315o