phosphine oxide-18O | 182917-43-7

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 其他非金属有机物
• 英文名称: phosphine oxide-18O
• CAS: 182917-43-7
• 化学式: H₂OP
• 分子量: 50.9896
• InChiKey: NRXKEONAFOCNGW-NJFSPNSNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.21
• 重原子数：
  2.0
• 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：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  carbon monoxide 、 phosphan 以 neat (no solvent) 为溶剂， 生成 phosphine oxide-18O
  参考文献：
  名称：

  Microwave spectrum and molecular structure of the dihydrophosphoryl radical H₂PO in theX̃ ²A′ ground electronic state

  摘要：

  The dihydrophosphoryl radical H2PO in the X̃ 2A′ ground electronic state was studied by microwave spectroscopy using a source-modulated spectrometer combined with a free-space cell. The radical was generated by dc-glow discharge in a mixture of PH3 and CO2 and spectral lines of H2PO were observed in the 140–380 GHz region. The spectral pattern, including hyperfine structure, suggests that the radical has a pyramidal structure with Cs symmetry. About 1000 spectral lines of H2P16O and 250 lines of H2P18O were measured for the fine and hyperfine structures of rotational transitions up to N=10−9. Nineteen molecular constants including the hyperfine coupling constants of the phosphorus and hydrogen nuclei were precisely determined by a least-squares fit of the observed lines. Molecular structural parameters were derived from the rotational constants: r(PO)=1.4875(4) Å, r(PH)=1.4287(14) Å, ∠HPO=115.52(10)°, and ∠HPH=102.56(14)° with three standard deviations in parentheses. The PO bond is intermediate between the normal single and double PO bonds. The spin density of unpaired electrons was ascertained from the hyperfine coupling constants for the P and H atoms and is consistent with the molecular structure determined.

  DOI：

  10.1063/1.472534

文献信息

• Infrared spectra of oxygen atom-phosphine reaction products trapped in solid argon
  作者：Robert Withnall、Lester Andrews

  DOI：10.1021/j100327a012

  日期：1988.8