| 75104-46-0

• 分子结构分类: 有机化合物 - 乙炔化物
• CAS: 75104-46-0；118090-84-9
• 化学式: C₃H
• 分子量: 37.0409
• InChiKey: CVRLLNGNDQSJON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  3
• 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：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  在 氘 作用下， 生成 <2H1>Cyclopropenylidene ion 、 <2H2>Cyclopropenylidene ion
  参考文献：
  名称：

  A crossed beam study of deuterium atom transfer in collisions of C3H+ + deuterium at collision energies 0.33-1.45 eV

  摘要：

  Dynamics of the reaction of C3H+ with D2 leading to C3HD.+(C3D2.+) and D. (H.) was studied in crossed beam scattering experiments over the collision energy range 0.3-1.5 eV. From the scattering diagrams of the ion products, center-of-mass angular distributions and distributions of the relative translational energies of the products were obtained. Analysis of the data suggests that at these collision energies the reaction proceeded prevailingly through a cyclic intermediate complex c-C3HD2+ which dissociated to form the cyclic ion products C-C3HD.+ and C-C3D2.+.

  DOI：

  10.1021/j100112a014
• 作为产物：
  描述：

  cyanoacetylene 在 C.I.颜料红53：1 作用下， 生成 、 Vinylideneamine 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Gas-phase reactions of some positive ions with atomic and molecular nitrogen

  摘要：

  The reactions of the cations CN+, HCN+, HCNH+, HC3N+, HC3NH+, H3+, H2O+, H3O+, N2+, CO+, HCO+, O2+, CO2+, HCO2+, and C2H2+ with atomic and molecular nitrogen have been characterized using a selected ion flow tube (SIFT) operating at room temperature. Rate coefficient and branching ratio data are reported for all ion–neutral reactions studied. Constraints arising from spin conservation considerations are found to be unimportant in cation-N atom processes.

  DOI：

  10.1063/1.477571

文献信息

• Dynamics of the condensation reactions of C⁺with C₂H₄and C₂H₂
  作者：D. M. Sonnenfroh、J. M. Farrar

  DOI：10.1063/1.455390

  日期：1988.11.15

  The condensation reactions of C+ with C2H4 and C2H2 yielding new carbon–carbon bonds have been studied with crossed beam methods in the collision energy range from 0.5 to 1.5 eV. The data show that the reactions take place through short-lived collision complexes living a fraction of a rotational period. These results are shown to be consistent with schematic potential energy surfaces constructed from heats of formation and molecular structure calculations indicating that the large exothermicities of the reactions in comparison with the stabilities of intermediate C3H+4 and C3H+2 complexes should yield lifetimes in the 10−13 s regime. The data for C3H+2 formation from the reaction of C+ with C2H4 suggest two distinct production channels. These results are consistent with photoion-photoelectron coincidence breakdown curves for C3H+2 formation in the dissociative ionization of C3H4 isomers. The least exothermic reaction, C3H+ from reaction with ethylene, shows behavior in closest agreement with statistical predictions, specifically product kinetic energy distributions that scale with the total energy accessible to the products. This result is also in qualitative agreement with the nature of the potential energy surface mediating the reaction and lifetimes expected from the reaction energetics.