Cyclopropylkation | 1724-43-2

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 英文名称: Cyclopropylkation
• 英文别名: Cyclopropylium；cyclopropane
• CAS: 1724-43-2
• 化学式: C₃H₅
• 分子量: 41.0727
• InChiKey: BGLCFPWEIFATPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  异丁烷 在 carbon dioxide cation 作用下， 以7%的产率得到叔丁基阳离子
  参考文献：
  名称：

  Ion-Molecule Reactions of CO₂⁺with Butane and Isobutane at Thermal Energy

  摘要：

  通过使用离子束装置，已测定CO2+与n-C4H10和i-C4H10的热能反应的速率常数和产物离子分布。n-C4H10和i-C4H10的总速率常数分别为(9.8 ± 2.0) × 10−10和(1.0 ± 0.2) × 10−9 cm³ s−1。这些数值约占根据拉让文理论估计的碰撞速率常数的75%。n-C4H10产生的离子包括C4H9+、C3Hn+（n = 5—7）和C2Hn+（n = 3—5），其分支比为6%、56%和38%；而从i-C4H10形成的离子为C4H9+和C3Hn+（n = 5—7），分支比分别为7%和93%。i-C4H10中缺乏C2Hn+片段归因于在形成C2Hn+片段时化学键发生显著重排的概率较低。CO2+/n-C4H10反应中的产物离子分布与在13.78 eV下n-C4H10+的碎片化模式预测的结果非常一致，表明CO2+/n-C4H10反应通过近共振电荷转移而不发生动量转移。

  DOI：

  10.1246/bcsj.66.2864

文献信息

• Proton affinity and heat of formation of silylene
  作者：Seung Koo Shin、J. L. Beauchamp

  DOI：10.1021/j100399a009

  日期：1986.4
• Laser photodissociation of C₇H₇⁺created through multiphoton ionization of<i>para</i>‐chlorotoluene
  作者：Pascal Lablanquie、Kazuhiko Ohashi、Nobuyuki Nishi

  DOI：10.1063/1.464633

  日期：1993.1

  The nature of the C7H7+ ion created through resonant dissociative multiphotoionization of para-chlorotoluene by an ultraviolet (UV) laser was investigated thanks to its interaction with a second laser beam. The dissociation pattern corresponding to one or several photon absorption could be observed. Cross section for the one-photon absorption in the 265/530 nm range revealed the presence of the tropylium and benzyl isomers and suggested they possessed substantial internal energy. This was confirmed by the study of the C7H7++hν■C5H5++C2H2 reaction, and more precisely of its rate and of the kinetic energy released. A ladder switch mechanism for the three-photon dissociative ionization of para-chlorotoluene leading to C7H7+ is shown to agree with our results.  
• Ion-Molecule Reactions of CO₂⁺with Butane and Isobutane at Thermal Energy
  作者：Masaharu Tsuji、Ken-ichi Matsumura、Tsuyoshi Funatsu、Yukio Nishimura、Hiroshi Obase、Shinji Kagawa、Yasuhito Kanetaka

  DOI：10.1246/bcsj.66.2864

  日期：1993.10

  Rate constants and product ion distributions have been determined for thermal energy reactions of CO2+ with n-C4H10 and i-C4H10 by using an ion-beam apparatus. The total rate constants are (9.8 ± 2.0) × 10−10 and (1.0 ± 0.2) × 10−9 cm3 s−1 for n-C4H10 and i-C4H10, respectively. These values amount to about 75% of the collision rate constants estimated from the Langevin theory. C4H9+, C3Hn+ (n = 5—7), and C2Hn+ (n = 3—5) are produced from n-C4H10 with branching ratios of 6, 56, and 38%, while C4H9+ and C3Hn+ (n = 5—7) are formed from i-C4H10 with branching ratios of 7 and 93%, respectively. The lack of C2Hn+ fragments from i-C4H10 is attributed to a low probability of significant rearrangement of chemical bonds for the formation of the C2Hn+ fragments. The product ion distribution in the CO2+/n-C4H10 reaction is in good agreement with that predicted from the fragmentation pattern of n-C4H10+ at 13.78 eV, indicating that the CO2+/n-C4H10 reaction proceeds through a near-resonant charge transfer without momentum transfer.

  通过使用离子束装置，已测定CO2+与n-C4H10和i-C4H10的热能反应的速率常数和产物离子分布。n-C4H10和i-C4H10的总速率常数分别为(9.8 ± 2.0) × 10−10和(1.0 ± 0.2) × 10−9 cm³ s−1。这些数值约占根据拉让文理论估计的碰撞速率常数的75%。n-C4H10产生的离子包括C4H9+、C3Hn+（n = 5—7）和C2Hn+（n = 3—5），其分支比为6%、56%和38%；而从i-C4H10形成的离子为C4H9+和C3Hn+（n = 5—7），分支比分别为7%和93%。i-C4H10中缺乏C2Hn+片段归因于在形成C2Hn+片段时化学键发生显著重排的概率较低。CO2+/n-C4H10反应中的产物离子分布与在13.78 eV下n-C4H10+的碎片化模式预测的结果非常一致，表明CO2+/n-C4H10反应通过近共振电荷转移而不发生动量转移。