rubidium fluorosulfite | 15857-40-6

• 英文名称: rubidium fluorosulfite
• CAS: 15857-40-6
• 化学式: FO₂S*Rb
• 分子量: 168.531
• InChiKey: RDVCRTKBZOIUNV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.25
• 重原子数：
  5
• 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：
  59.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  rubidium fluorosulfite 以 neat (no solvent) 为溶剂， 生成 rubidium fluoride 、 二氧化硫
  参考文献：
  名称：

  Kessler, Ulrich; Jansen, Martin, Zeitschrift fur Anorganische und Allgemeine Chemie, 1999, vol. 625, # 3, p. 385 - 388

  摘要：

  DOI：
• 作为产物：
  描述：

  rubidium fluoride 、 二氧化硫 以 二氧化硫 为溶剂， 以99%的产率得到rubidium 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

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: S: SVol.3, 2.1.8.10.3, page 212 - 214
  作者：

  DOI：——

  日期：——
• Structure of the Fluorosulfite Anion:  Rotational Disorder of SO₂F^- in the Alkali Metal Fluorosulfites and Crystal Structures of α- and β-CsSO₂F
  作者：Ulrich Kessler、Leo van Wüllen、Martin Jansen

  DOI：10.1021/ic010303+

  日期：2001.12.1

  F-19 solid-state NMR spectra of the alkali metal fluorosulfites KSO2F, RbSO2F, alpha -CsSO2F, and beta -CsSO2F show that the fluorosulfite anion is subjected to dynamical disorder at room temperature, This disorder can be modeled by 120 degrees rotational jumps with respect to the C-3-Pseudoaxis of the anion, The exchange frequency of this disorder decreases with decreasing temperature. The calculated jump frequencies at room temperature are 5 x 10(5) Hz for KSO2F, 2 x 10(5) Hz for RbSO2F, 1 x 10(7) Hz for alpha -CsSO2F, and 5 x 10(5) Hz for beta -CsSO2F, respectively. The crystal structures of alpha- and beta -CsSO2F were determined for the First time (alpha: Pnma; Z = 4; a = 790.98(8), b = 666.07(7), c = 798.93(9) pm; T = 293 K. beta: R3m; Z = 3 a = 659.22(6), c = 800.50(4) pm; T = 293 K), X-ray single-crystal data of KSO2F, RbSO2F, and alpha -CsSO2F taken at various temperatures were refined using the disorder model developed from the NMR results. It is shown that it is impossible to obtain reliable structural parameters of the SO2F- ion by refinement of X-ray data as long as rotational disorder persists, The preference of an ordered structure increases with decreasing temperature, The degree of disorder remaining in alpha -CsSO2F at 93 K is small, The structural parameters of the fluorosulfite anion as obtained by a routine refinement of this phase (S-F, 169.0(2) pm; S-O, 147.8(1) pm) are the best lower (S-F) and upper (S-O) limits of the "true" bond lengths determined experimentally. They comply with the values obtained from quantum chemical calculations.
• Seel, F.; Riehl, L., Zeitschrift fur Anorganische und Allgemeine Chemie
  作者：Seel, F.、Riehl, L.

  DOI：——

  日期：——