二氯卡宾(1+) | 55945-51-2

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 其他非金属卤化物
• 中文名称: 二氯卡宾(1+)
• 英文名称: dichlorocarbene(1+)
• 英文别名: dichlorocarbene；dichloromethyliumyl；dichlorocarbene radical cation
• CAS: 55945-51-2
• 化学式: CCl₂
• 分子量: 82.917
• InChiKey: BMNPTARFHVPKCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.46
• 重原子数：
  3.0
• 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：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  四氯化碳 在 Ar⁽¹⁺⁾ 作用下， 以 gas 为溶剂， 生成 trichloromethyl(1+) 、 二氯卡宾(1+)
  参考文献：
  名称：

  Dissociative charge‐transfer reactions of Ar⁺ with CF_nCl_4−n at thermal energy

  摘要：

  A flowing-afterglow apparatus coupled with a low pressure chamber was used for studying charge-transfer reactions of Ar+ with CFnCl4−n(n=0–4) at thermal energy. The product ion distributions and rate constants were determined. Near-resonant charge transfer followed by successive loss of F or Cl atom were major product channels observed. Slower rate constants for CFCl3 and CCl4 than those of CF4, CF3Cl, and CF2Cl2 were qualitatively explained by the absence of energy-resonant ionic state with favorable Franck–Condon factors. However, the relation kobsd>0.1kcalcd (Langevin or ADO) holds for all the reactions, indicating that the existence of favorable Franck–Condon factors is not a significant factor for assessing the magnitude of the Ar+/CFnCl4−n charge-transfer reactions.

  DOI：

  10.1063/1.461918

文献信息

• Rekova, L. P.; Abramenko, A. D.; Fogel', Ya. M., Zhurnal Tekhnicheskoi Fiziki, 1969, vol. 13, p. 1275 - 1278
  作者：Rekova, L. P.、Abramenko, A. D.、Fogel', Ya. M.

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.D2, 4.1.2.7.7.11, page 239 - 241
  作者：

  DOI：——

  日期：——
• Thermal energy reactions of CO⁺₂ with chloromethanes
  作者：Masaharu Tsuji、Tsuyoshi Funatsu、Ken‐ichi Matsumura、Yukio Nishimura

  DOI：10.1063/1.466052

  日期：1993.9.15

  Rate constants and product ions have been determined for thermal energy reactions of CO2+ with CHnCl4−n(n=0–3) by using an ion-beam apparatus. Total rate constants are (8.7±3.7), (6.7±3.1), (9.1±4.1), and (4.9±1.6)×10−10 cm3 s−1 for CH3Cl, CH2Cl2, CHCl3, and CCl4, respectively. These values amount to 38%–61% of the collision rate constants estimated from either the Langevin or averaged dipole oriented theory. Although charge transfer followed by the successive loss of a Cl atom is the major product channel, parent ions are formed from CH3Cl and CH2Cl2 with branching ratios of 33%±5% and 25%±3%, respectively. The reaction mechanisms are interpreted in terms of the electronic states of the parent molecular ion accessible in the charge-transfer processes. The lack of formation of parent ions from CHCl3 and CCl4 is explained as due to complete (pre)dissociation of ionic states below 13.78 eV.
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.D2, 4.1.2.7.3, page 221 - 221
  作者：

  DOI：——

  日期：——
• Chin, S. L., 1971, vol. 4, p. 992 - 996
  作者：Chin, S. L.

  DOI：——

  日期：——