Uranium monoxide monosulfide | 22201-28-1

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 锕系有机物
• 英文名称: Uranium monoxide monosulfide
• 英文别名: oxo(sulfanylidene)uranium
• CAS: 22201-28-1
• 化学式: OSU
• 分子量: 286.094
• InChiKey: NSFKIJLNNSMHHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.53
• 重原子数：
  3
• 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：
  49.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  铀 、 二氧化硫 以 gaseous matrix 为溶剂， 生成 Uranium monoxide monosulfide 、 uranium(VI) dioxide sulfide 、 、 monouranium(VII) dioxide monosulfide 、 uranium(VI) trioxide
  参考文献：
  名称：

  Infrared Spectra and Density Functional Calculations of the SUO₂ Molecule

  摘要：

  Reactions of laser-ablated U atoms with SO2 Molecules gave the very stable U(VI) molecule, SUO2, as the major product. Infrared absorptions for two new O=U=O stretching modes were observed in solid argon and neon. The band assignments were confirmed by appropriate (SO2)-S-34, (SO2)-O-18, and (SO2)-O-16,18 isotopic shifts. B3LYP and BPW91 density functional calculations were performed to determine molecular structure, vibrational frequencies, and isotopic shifts. The C-2v structure is analogous to those computed for UO3 and US3. Minor products were identified as SUO, the SUO2+ cation, and the (SO2)(SUO2) adduct.

  DOI：

  10.1021/ic900869f