pentafluorosulfur fluorosulfonate | 81439-35-2

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 卤代有机物
• 英文名称: pentafluorosulfur fluorosulfonate
• CAS: 81439-35-2
• 化学式: F₆O₃S₂
• 分子量: 226.121
• InChiKey: JNOJFYGFEOJJGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  52.8
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  pentafluorosulfanyl bromide 、 溴(I)氟硫酸盐 以 not given 为溶剂， 生成 pentafluorosulfur fluorosulfonate
  参考文献：
  名称：

  Gas-Phase Structure, Conformation, and Sulfur 2p Photoelectron Spectroscopy of Pentafluorosulfur Fluorosulfonate, SF₅OSO₂F

  摘要：

  The structure of SF5OSO2F has been investigated using gas-phase electron diffraction and quantum-chemical calculations. It is found to exist primarily in the gauche form (SF5 group gauche relative to the S-F bond of the SO2F group with phi(S-O-S-F = 71(7)degrees). A small contribution of the trans conformer cannot be excluded. Photoelectron spectroscopy gives ionization energies for the sulfur 2p electrons that reflect the relative electronegativities of fluorine and oxygen. The widths of the peaks in the photoelectron spectra indicate that there is considerable vibrational excitation associated with the core ionization of the sulfur atoms.

  DOI：

  10.1021/ic035439h

文献信息

• <b>Some Reactions of Bis-(pentafluorosulfur) Peroxide</b>
  作者：Claude I. Merrill、George H. Cady

  DOI：10.1021/ja00890a017

  日期：1963.4

  Abstract : Reactions between bis(pentafluorosulfur) peroxide and NO, CF2Cl , C2F4, CF3OOOCF3, S2O6F2, SO2 and SF4 were observed. It was found that bis( PENTAFLUOROSULFUR) peroxide act to introduce sulfur oxide pentafluoride groups into molecules by substitution and oxidative addition. Side reactions often occur. These side reactio i clude t e decomposition of the peroxide into simpler products and

  摘要 : 观察了双（五氟硫）过氧化物与 NO、CF2Cl、C2F4、CF3OOOCF3、S2O6F2、SO2 和 SF4 之间的反应。发现双(PENTAFLUOROSULFUR)过氧化物通过取代和氧化加成将五氟化硫基团引入分子中。经常发生副反应。这些副反应包括将过氧化物分解成更简单的产物，还包括氧化作用，偶尔还包括氟化物，表征了新物质 SF5OOCF3、SF5SF5OOSO2F、(SF5)2SO4 和顺式 SF5O)2SF4。发现了一种合成SF5OSO2F的新方法，并确定了该化合物的性质。（啊哈）
• 147. The photochemical reactions of some pentafluorosulphur derivatives with sulphur dioxide
  作者：H. J. Emeléus、K. J. Packer

  DOI：10.1039/jr9620000771

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: S: SVol.3, 2.1.8.9.6.2, page 197 - 198
  作者：

  DOI：——

  日期：——
• Some Reactions of Pentafluorosulfur Hypofluorite and Trifluoromethyl Hypofluorite
  作者：G. Pass、H. L. Roberts

  DOI：10.1021/ic50009a032

  日期：1963.10
• Gas-Phase Structure, Conformation, and Sulfur 2p Photoelectron Spectroscopy of Pentafluorosulfur Fluorosulfonate, SF₅OSO₂F
  作者：Christiane Leibold、Heinz Oberhammer、T. Darrah Thomas、Leif J. Saethre、Rolf Winter、Gary L. Gard

  DOI：10.1021/ic035439h

  日期：2004.6.28

  The structure of SF5OSO2F has been investigated using gas-phase electron diffraction and quantum-chemical calculations. It is found to exist primarily in the gauche form (SF5 group gauche relative to the S-F bond of the SO2F group with phi(S-O-S-F = 71(7)degrees). A small contribution of the trans conformer cannot be excluded. Photoelectron spectroscopy gives ionization energies for the sulfur 2p electrons that reflect the relative electronegativities of fluorine and oxygen. The widths of the peaks in the photoelectron spectra indicate that there is considerable vibrational excitation associated with the core ionization of the sulfur atoms.