| 36570-32-8

• 分子结构分类: 无机化合物
• CAS: 36570-32-8
• 化学式: ClHI
• 分子量: 163.365
• InChiKey: GCAXHHMOSWEXDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.31
• 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：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  盐酸 、 氢碘酸 生成
  参考文献：
  名称：

  Examination of the Br+HI, Cl+HI, and F+HI hydrogen abstraction reactions by photoelectron spectroscopy of BrHI⁻, ClHI⁻, and FHI⁻

  摘要：

  The photoelectron spectra of the ions BrHI−, ClHI−, and FHI−, along with their deuterated counterparts, are presented. These spectra provide information on the transition state region of the potential energy surfaces describing the exothermic neutral reactions X+HI→HX+I(X=Br, Cl, F). Vibrational structure is observed in the BrHI− and ClHI− spectra that corresponds to hydrogen atom motion in the dissociating neutral complex. Transitions to electronically excited potential energy surfaces that correlate to HX+I(2P3/2,2P1/2) products are also observed. A one-dimensional analysis is used to understand the appearance of each spectrum. The BrHI− spectrum is compared to a two-dimensional simulation performed using time-dependent wave packet propagation on a model Br+HI potential energy surface.

  DOI：

  10.1063/1.458208