| 80094-28-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 80094-28-6
• 化学式: CO₂*O₂
• 分子量: 76.0086
• InChiKey: RKGQKLIPAKLCQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.52
• 重原子数：
  5.0
• 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：
  71.11
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  二氧化碳 、 氧气 以 neat (no solvent, gas phase) 为溶剂， 生成
  参考文献：
  名称：

  CO2 + CO2，SO2 + CO2，N2O + N2O，O2 + CO2，NO + CO2，O2 + N2O和NO + N2O气相离子分子团簇的热化学：新型混合漂移管/离子源的描述同轴电子束和离子出口孔

  摘要：

  DOI：

  10.1021/j100321a037

文献信息

• Determination of the stabilities of CO2+• (CO2)n and O2+• (CO2)n clusters with n=1–6
  作者：Kenzo Hiraoka、Genei Nakajima、S. Shoda

  DOI：10.1016/0009-2614(88)87495-5

  日期：1988.5

  Thermodynamic values for clustering reactions of the radical cations CO2+ and O2+ with carbon dioxide were measured with a pulsed electron beam mass spectrometer. CO2+• (CO2)n has the form of a “shell structure”, i.e., (CO2)2+• (CO2)n-1. Generally, the bond energies of symmetric radical cation dimers B+•—B increase with increasing ionization energy of B.

  用脉冲电子束质谱仪测量自由基阳离子CO 2 +和O 2 +与二氧化碳的聚集反应的热力学值。CO 2 +•（CO 2）n具有“壳结构”的形式，即，（CO 2）2 +•（CO 2）n -1。通常，对称自由基阳离子二聚体B +• -B的键能随B的电离能的增加而增加。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.C2, 3.7.3.2, page 195 - 196
  作者：

  DOI：——

  日期：——
• Flowing Afterglow Studies of Formation and Reactions of Cluster Ions of O₂⁺, O₂⁻, and O⁻
  作者：N. G. Adams、D. K. Bohme、D. B. Dunkin、F. C. Fehsenfeld、E. E. Ferguson

  DOI：10.1063/1.1673449

  日期：1970.3.15

  The temperature-controlled flowing afterglow system has been utilized at temperatures below 300°K to measure the rate constants for the association of H2, N2, O2, CO2, N2O, and SO2 to O2+ with helium third body. Rate constants for the association of N2, O2, and CO2 to O2− and for the association of N2 and CO2 to O− have been measured at 200°K. Some of the ion clusters formed in this way reacted via binary neutral interchange reactions of the type A±·B+C → A±·C+B. Rate constants for these processes were obtained at and below 300°K. The observation of these reactions allows an ordering of ion cluster bond energies. The increasing order of binding energies to O2+ is H2, N2, O2, N2O, SO2, and H2O. For the O2− ion clusters the increasing order is N2, O2, H2O, CO2, and NO. In some cases, equilibria are observed allowing a determination of binding energy differences. The three-body association rate constants increase with increasing binding energy of the ion cluster, in accord with theoretical expectation.