Entonox | 188309-23-1

• 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: Entonox
• 英文别名: molecular oxygen;nitrous oxide
• CAS: 188309-23-1
• 化学式: N₂O*O₂
• 分子量: 76.0116
• InChiKey: JJGOFTJTVVVHAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.09
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  53.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  氧气 、 一氧化二氮 以 gaseous matrix 为溶剂， 生成 Entonox
  参考文献：
  名称：

  Spectroscopy and structure of the open-shell complex O2–N2O

  摘要：

  The high-resolution spectrum of O2–N2O, the first for a complex containing more than one unpaired electron, has been studied in the region of the ν3 N2O monomer vibrational band using a molecular beam diode laser absorption spectrometer. The spectrum has been completely analyzed using a newly developed effective Hamiltonian. The rotational constants are accurately determined for both ground and excited vibrational states. The equilibrium structure of the complex is planar, with a separation between the centers of the mass of two monomers of 3.423 Å. The structural angles have been experimentally determined as: either θO2=58° and θN2O=77°, or θO2=122° and θN2O=100°. The large amplitude motion of the monomers leads to the complex having an effective out-of-plane root mean square angle of φ=φ1−φ2≈23°. In addition, an interpretation of the structure of the complex is given in terms of an intermolecular potential using a model described by Muenter.

  DOI：

  10.1063/1.475115

文献信息

• Spectroscopy and structure of the open-shell complex O2–N2O
  作者：Hai-Bo Qian、Dominic Seccombe、Brian J. Howard

  DOI：10.1063/1.475115

  日期：1997.11.15

  The high-resolution spectrum of O2–N2O, the first for a complex containing more than one unpaired electron, has been studied in the region of the ν3 N2O monomer vibrational band using a molecular beam diode laser absorption spectrometer. The spectrum has been completely analyzed using a newly developed effective Hamiltonian. The rotational constants are accurately determined for both ground and excited vibrational states. The equilibrium structure of the complex is planar, with a separation between the centers of the mass of two monomers of 3.423 Å. The structural angles have been experimentally determined as: either θO2=58° and θN2O=77°, or θO2=122° and θN2O=100°. The large amplitude motion of the monomers leads to the complex having an effective out-of-plane root mean square angle of φ=φ1−φ2≈23°. In addition, an interpretation of the structure of the complex is given in terms of an intermolecular potential using a model described by Muenter.