sulfur trioxide | 1005507-73-2

• 英文名称: sulfur trioxide
• 英文别名: cis-OSOO
• CAS: 1005507-73-2；175799-68-5
• 化学式: O₃S
• 分子量: 80.0642
• InChiKey: MGWHAPDSDOKDFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  三氧化硫 以 solid matrix 为溶剂， 生成 sulfur trioxide
  参考文献：
  名称：

  Isomers of SO₃: Infrared absorption of OSOO in solid argon

  摘要：

  Sulfur trioxide (SO3) isolated in solid argon at 12 K was irradiated with light at 193 nm from an ArF excimer laser. Recombination of photofragments O and SO2 produces OSOO that absorbs at 1229.6, 1041.3, and 597.6 cm−1. The assignments are based on observed 34S- and 18O-isotopic shifts. Theoretical calculations using the B-P86 and the B3-LYP density functional methods were carried out for five isomers of SO3; energies and vibrational wave numbers were predicted for each one. Observed line positions, infrared intensities, and isotopic shifts fit well with those predicted for cis-OSOO at the B-P86 level. Further irradiation of the matrix sample with emission at 248 nm from a KrF laser bleached OSOO and enhanced absorption lines of SO2 and, to a lesser extent, of SO3. The mechanism of formation of OSOO in a matrix cage is discussed.

  DOI：

  10.1063/1.471335

文献信息

• Capture of SO₃isomers in the oxidation of sulfur monoxide with molecular oxygen
  作者：Zhuang Wu、Bo Lu、Ruijuan Feng、Jian Xu、Yan Lu、Huabin Wan、André K. Eckhardt、Peter R. Schreiner、Changjian Xie、Hua Guo、Xiaoqing Zeng

  DOI：10.1039/c7cc09389f

  日期：——

  When mixing SO with O2 in N2, Ne, or Ar, an end-on complex OS–OO forms in the gas phase and can subsequently be trapped at cryogenic temperatures (2.8–15.0 K). Upon infrared light irradiation, OS–OO converts to SO3 and SO2 + O with the concomitant formation of a rare 1,2,3-dioxathiirane 2-oxide, i.e., cyclic OS(O)O. Unexpectedly, the ring-closure of 16OS–18O18O yields a ca. 2 : 1 mixture of cyclic

  当将SO与O 2混合在N 2，Ne或Ar中时，在气相中形成端基复合物OS-OO，随后可以在低温（2.8-15.0 K）下捕获。在红外光照射下，OS-OO转化为SO 3和SO 2 + O，并伴有稀有的1,2,3-二氧杂环丁烷2-氧化物，即环状OS（O）O。出乎意料的是，16 OS - 18 O 18 O的闭环产生一个约。环状18 OS（16 O）18 O和16 OS（18 O）18的2：1混合物O.高级别的从头算计算支持OS-OO和OS（O）O的IR和UV / Vis光谱表征。