phosphinic chloride | 1033081-07-0

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 其他非金属卤化物
• 英文名称: phosphinic chloride
• CAS: 1033081-07-0
• 化学式: ClHOP
• 分子量: 83.4341
• InChiKey: SLQIKFDHXJIVNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.16
• 重原子数：
  3.0
• 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：

  氢气 、 dichlorophosphite 以 neat (no solvent, gas phase) 为溶剂， 生成 盐酸 、 盐酸 、 、 phosphinic chloride
  参考文献：
  名称：

  Reactions of PO_xCl_y^- Ions with H and H₂ from 298 to 500 K

  摘要：

  Rate constants and product branching ratios for POxCly- ions reacting with H and H-2 were measured in a selected ion flow tube (SIFT) from 298 to 500 K. PO2Cl-, PO2Cl2-, POCl2-, and POCl3- were all unreactive with H-2, having a rate constant with an upper limit of < 5 x 10(-12) cm(3) S-1. PO2Cl2- did not react with H atoms either, having a similar rate constant limit of < 5 x 10(-12) cm(3) s(-1). The rate constants for PO2Cl-, POCl2-, and POCl3- reacting with H showed no temperature dependence over the limited range of 298-500 K and were approximately 10-20% of the collision rate constant. Cl abstraction by H to form HCl was the predominant product channel for PO2Cl-, POCl2-, and POCl3-, with a small amount of Cl- observed from POCl2- + H. Reactions of O-2 and O-3 with the POCl- products ions from the reaction of POCl2- + H were observed to yield predominantly PO3- and PO2-, respectively. POCl- reacted with O-2 and O-3 with rate constants of 8.9 +/- 1.1 x 10(-11) and 5.2 +/- 3.3 x 10(-10) cm(3) s(-1), respectively. No associative electron detachment in the reactions with H atoms was observed with any of the reactant ions; however, detachment was observed with a PO- secondary product ion at high H atom concentrations. Results of new G3 theoretical calculations of optimized geometries and energies for the products observed are discussed.

  DOI：

  10.1021/jp045203e