phosphinoyl | 97516-21-7

• 英文名称: phosphinoyl
• 英文别名: dihydrophosphoryl radical
• CAS: 97516-21-7
• 化学式: H₂OP
• 分子量: 48.989
• InChiKey: NRXKEONAFOCNGW-UHFFFAOYSA-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：

  (氨基-甲氧基磷酰)氧基甲烷 在 氢气 、 氧气 作用下， 生成 phosphinoyl
  参考文献：
  名称：

  由有机磷化合物形成磷酸根的基础化学-火焰化学中缺少的难题部分。

  摘要：

  反应性物种，例如。PO 2在燃料的火焰抑制和催化燃烧过程中，HOP和HOPO被认为是最重要的。但是，由于没有可用于识别导致其形成的瞬态物质的合适分析技术，其形成的基本化学性质仍是推测性的。这项研究阐明了在明确定义的氧化条件下，由膦酸二甲基甲酯（DMMP）和氨基磷酸二甲酯（DMPR）形成磷酰基物质的反应机理。利用真空紫外同步加速器辐射的光电子光子重合技术被用于异构体选择性检测难以捉摸的关键中间体和稳定产物。借助原位记录的光谱指纹图谱，可以识别不同的瞬态物质，例如PO 2从它们的同分异构体组分中可以唯一地鉴定出三聚体和三元体O自由基，这有助于在各种条件下拼合磷酰基物质的形成机理。发现。PO 2的形成需要高于1070 K的氧化条件。O 2和H 2的共同存在导致两种模型磷化合物的分解化学发生显着变化，从而导致。PO 2。反应。PO + O 2 → 。PO 2 + O：被确定为形成的关键步骤。PO 2。有趣的是，DMPR热解过程中O

  DOI：

  10.1002/chem.202001388

文献信息

• Kinetics and mechanism of the reactions of PH3 with O(3 P) and N(4 S) atoms
  作者：Peter A. Hamilton、Timothy P. Murrells

  DOI：10.1039/f29858101531

  日期：——

  molecule–1 s–1. The products are principally H2PO and H with <10% of the reaction proceeding to PH2 and OH. Observation of the molecular species H3PO is reported for the first time. HPO and PO were also detected and a new mechanism for the reaction of oxygen atoms with phosphine is suggested. The reaction N + PH3 [graphic omitted] products (2) was observed to be very slow with an upper limit for the rate

  使用放电流系统研究了基态氧和氮原子与磷化氢的反应，该系统通过分子束采样质谱法检测自由基和分子种类。通过观察过量O引起的PH 3的衰减，确定反应O + PH 3产物（1）的速率常数为（k 1 =（4.6±0.8）×10 –11 cm 3分子）–1 s –1。产物主要是H 2 PO和H，其中＜10％的反应进行到PH 2和OH。观察分子种类H 3首次报告采购订单。还检测到了HPO和PO，并提出了氧原子与膦反应的新机理。将反应N + PH 3 [省略了图形]观察到产品（2）是非常慢的与速率常数的上限ķ 2 ⩽4.0×10 -14厘米3分子-1小号-1。
• Rate constant for the reaction of atomic oxygen with phosphine at 298 K
  作者：L. J. Stief、W. A. Payne、D. F. Nava

  DOI：10.1063/1.453186

  日期：1987.8.15

  The rate constant for the reaction of atomic oxygen with phosphine has been measured at 298 K using flash photolysis combined with time-resolved detection of O(3P) via resonance fluorescence. Atomic oxygen was produced by flash photolysis of N2O or NO highly diluted in argon. The results were shown to be independent of [PH3], [O], total pressure and the source of O(3P). The mean value of all the experiments is k1=(3.6±0.8)×10−11 cm3 s−1 (1σ). Two previous measurements of k1 differed by more than an order of magnitude, and our results support the higher value obtained in a discharge flow-mass spectrometry study. A comparison with rate data for other atomic and free radical reactions with phosphine is presented, and the role of these reactions in the aeronomy or photochemistry of Jupiter and Saturn is briefly considered.
• Microwave spectrum and molecular structure of the dihydrophosphoryl radical H₂PO in the<i>X̃</i> ²<i>A</i>′ ground electronic state
  作者：Tsuyoshi Hirao、Shuji Saito、Hiroyuki Ozeki

  DOI：10.1063/1.472534

  日期：1996.9

  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.
• 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
• Temperature study of oxygen atom + phosphine reaction rate: kinetic measurements and planetary atmospheric implications
  作者：David F. Nava、Louis J. Stief

  DOI：10.1021/j100347a036

  日期：1989.5