carbon trioxide | 94660-13-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: carbon trioxide
• 英文别名: Dioxiran-3-one
• CAS: 94660-13-6
• 化学式: CO₃
• 分子量: 60.0092
• InChiKey: NPDDCAZCWJWIBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  4
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  42.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  carbon trioxide 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Steinfatt, Manfred F. D., Bulletin des Societes Chimiques Belges, 1985, vol. 94, # 1, p. 85 - 86

  摘要：

  DOI：
• 作为产物：
  描述：

  生成 carbon trioxide
  参考文献：
  名称：

  Steinfatt, Manfred F. D., Bulletin des Societes Chimiques Belges, 1985, vol. 94, # 1, p. 85 - 86

  摘要：

  DOI：

文献信息

• Untangling the formation of the cyclic carbon trioxide isomer in low temperature carbon dioxide ices
  作者：Chris J. Bennett、C. Jamieson、Alexander M. Mebel、Ralf I. Kaiser

  DOI：10.1039/b315626p

  日期：——

  mol−1 and the reaction of O(3P) with carbon dioxide to form the carbon trioxide molecule via triplet-singlet intersystem crossing is endoergic by 2 kJ mol−1, the oxygen reactant(s) must have excess kinetic energy (suprathermal oxygen atoms which are not in thermal equilibrium with the surrounding 10 K matrix). A second reaction pathway of the oxygen atoms involves the formation of ozone via molecular

  对富含二氧化碳的地外冰以及地球和火星大气中环状三氧化碳异构体 CO3(X 1A1) 的形成进行了实验和理论研究。二氧化碳冰在 10 K 下沉积在银 (111) 单晶上并用 5 keV 电子辐照。完成电子轰击后，将样品保持在 10 K，然后退火至 293 K，以将反应物和新形成的分子释放到气相中。通过傅里叶变换红外光谱仪在吸收-反射-吸收（固态）和通过四重质谱仪（气相）在线和原位监测实验。我们的研究表明，电子与二氧化碳分子的相互作用是由碳-氧键断裂形成电子激发（1D）和/或基态（3P）氧原子加上一氧化碳分子决定的。约 2% 的氧原子与二氧化碳分子反应，通过添加到二氧化碳物质的碳-氧双键上，形成 C2v 对称的环状 结构；三氧化碳的 Cs 和 D3h 对称异构体均未检测到。由于 O(1D) 的添加涉及 4-8 kJ mol-1 的势垒，并且 O(3P) 与二氧化碳通过三重态-单重态系统间交叉形成三氧化碳分子的反应是
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.C1, 46, page 99 - 102
  作者：

  DOI：——

  日期：——
• Reactions of¹<i>D</i>Oxygen Atoms in the Photolysis of Carbon Dioxide. II
  作者：Peter Warneck

  DOI：10.1063/1.1725745

  日期：1964.12

  The vacuum-uv photolysis of CO2 containing initially no oxygen was investigated in a closed system and the quantum yields of ozone and oxygen determined. The quantum yield for ozone production was found to be below Q(O3) ≤0.03, which is insufficient to explain the oxygen deficiency observed in the O2 quantum yields. The [O2]/[CO] ratio was found to depend on the light intensity, on the time interval after which an irradiated sample was subjected to analysis, and on the ratio of carbon dioxide to admixed rare gas concentration. The results concerning the [O2]/[CO] ratio can be explained by the formation of CO3 due to the attachment of 1D oxygen atoms to CO2. This reaction is in competition with the third-body recombination of 1D oxygen atoms.
• Some Photochemical Reactions of O₃in the Gas Phase
  作者：D. Katakis、H. Taube

  DOI：10.1063/1.1732521

  日期：1962.1.15

  When a gaseous mixture containing O3 and CO2 of different isotopic composition is illuminated by uv light, the oxygen that is formed has undergone some exchange with CO2. The extent of this exchange has been studied as a function of initial O3 and CO2 pressure, and the influence of foreign gases on it was also studied. It is concluded that O1D is the intermediate which undergoes rapid exchange with CO2, and further that the reaction O1D+CO2⇌CO+O2does not provide the dominant mechanism for this exchange. The results suggest that at low total pressures exchange takes place by O*+CO2⇌O+CO2*and that at high total pressures, CO3 is formed as an intermediate.
• Carbon Trioxide: Its Production, Infrared Spectrum, and Structure Studied in a Matrix of Solid CO₂
  作者：Norman G. Moll、Dale R. Clutter、Warren E. Thompson

  DOI：10.1063/1.1727526

  日期：1966.12.15

  Reactions of oxygen atoms with CO2 molecules to give a species identified as CO3 have been observed in three systems: (1) the photolysis of solid CO2 at 77°K with vacuum-ultraviolet light from a xenon resonance lamp; (2) the photolysis of O3 in a CO2 matrix at 50°—60°K with 2537-Å light from a mercury arc; and (3) the radio-frequency discharge of CO2 gas followed by trapping of products at 50°—70°K. The infrared spectrum of the species includes absorptions at 568, 593, 972, 1073, 1880, 2045, 3105, and 3922 cm−1. Isotopic studies using CO2 enriched with 18O or 13C show that the molecular formula is CO3 and provide a basis for determining the molecular structure. Frequency assignments and isotopic product-rule calculations favor a planar C2v molecule in which the carbon atom is bonded to the unique oxygen atom by a strong carbonyl bond and to two equivalent oxygen atoms by weaker bonds. There is presumably covalent bonding between the two equivalent oxygen atoms. In the proposed frequency assignment it is assumed that the absorption arising from the out-of-plane bending mode is unobserved. Results of photolyzing isotopically nonequilibrated 18O-enriched CO2 indicate that a D3h or C3v species with three equivalent oxygen atoms is involved in the reaction mechanism or is a readily accessible excited state. There is evidence that the observed photodecomposition of CO3 by visible and ultraviolet light yields oxygen atoms and CO2.