uranium(VI) oxide-18O | 1173465-18-3

• 英文名称: uranium(VI) oxide-18O
• CAS: 1173465-18-3
• 化学式: O₃U
• 分子量: 292.029
• InChiKey: JCMLRUNDSXARRW-MATSECLSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.36
• 重原子数：
  4.0
• 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：
  51.21
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  铀 、 Sulfur dioxide-18O2, 95 atom % 18O 以 gaseous matrix 为溶剂， 生成 uranium(VI) oxide-18O 、 uranium(IV) oxide-18O sulfide 、 uranium(VI) dioxide-18O sulfide 、 、
  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