trichloromethyl(1+) | 27130-34-3

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物
• 英文名称: trichloromethyl(1+)
• 英文别名: trichloromethylium；Methylium, trichloro-, radical ion(1+)；trichloromethane
• CAS: 27130-34-3
• 化学式: CCl₃
• 分子量: 118.37
• InChiKey: YDTAHIYKMNZFBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  4
• 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

• 作为产物：
  描述：

  四氯化碳 在 甲基环己烷 作用下， 生成 trichloromethyl(1+)
  参考文献：
  名称：

  The Transient CCl3+: Its Optical Absorption and Its Ability To Form Ion Pairs in Methylcyclohexane Solution of CCl4

  摘要：

  The nature of the well-known 470-nm band in pulse-irradiated CCl4/ethylcyclohexane (MCH) systems is investigated. The band has been attributed to the CCl3+ within the ion pair (CCl3+/Cl-). However, from an ah initio calculation for the ground and excited states of the isolated CCl3+ there is no transition available to explain the observed 470-nm absorption. As the spectral characteristics of the band (R,,, absorption, bandwidth) are found to be strongly dependent on system parameters, such as temperature and solute concentration, the absorption is ascribed to a charge-transfer (CT) band between CCl3+ and a solvent or solute molecule. In a MCH solution Of CCl4 both CT complexes, CCl3+ <-- MCH and CCl3+ <-- CCl4, are possible. Their buildup can be observed at low temperatures. The band disappearance is due to the decay of the corresponding ion pairs {(CCl3+ <-- MCH)\Cl-} and {(CCl3+ <-- CCl4)\Cl-}. Except for the very early times, the band decay follows first-order kinetics up to 4 half-lives, which is characterized by a low activation energy and a very low preexponential factor. Since this decay is faster at higher CCB concentrations, it is obvious that the ion pair with CCl4 is less stable (more reactive) than that with MCH. From a dose effect on the decay rate, it is concluded that the ion pairs are able to react with the solvent radicals. This ion pair reactivity, together with other arguments, like the very low preexponential factor, indicate that the ion pairs are probably solvent separated.

  DOI：

  10.1021/j100089a034

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：——
• Multiphoton ionization of chloromethanes with 193-nm excimer laser radiation in argon matrices
  作者：Nicholas P. Machara、Bruce S. Ault

  DOI：10.1021/j100342a042

  日期：1989.3
• Gas-phase ion chemistry of titanium tetrachloride and methyltitanium chloride (CH3TiCl3). Reaction of CH3TiCl2+ with ethylene
  作者：Jack S. Uppal、Douglas E. Johnson、Ralph H. Staley

  DOI：10.1021/ja00393a005

  日期：1981.2
• 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.