fluorodichloromethyl(1+) | 40640-70-8

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 英文名称: fluorodichloromethyl(1+)
• 英文别名: dichloro-fluoro-methylium；dichloro(fluoro)methane
• CAS: 40640-70-8
• 化学式: CCl₂F
• 分子量: 101.915
• InChiKey: VFUGEXPUDGUVFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.88
• 重原子数：
  4.0
• 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：

  chlorodifluoromethyl cation 在 四氯化钛 作用下， 生成 fluorodichloromethyl(1+)
  参考文献：
  名称：

  Gas-phase ion chemistry of titanium tetrachloride and methyltitanium chloride (CH3TiCl3). Reaction of CH3TiCl2+ with ethylene

  摘要：

  DOI：

  10.1021/ja00393a005

文献信息

• Chemical ionization using CF3+: Efficient detection of small alkanes and fluorocarbons
  作者：Christophe Dehon、Joël Lemaire、Michel Heninger、Aurélie Chaput、Hélène Mestdagh

  DOI：10.1016/j.ijms.2010.09.033

  日期：2011.1

  The trifluoromethyl ion CF3+ is evaluated as a chemical ionization (CI) precursor in a compact Fourier Transform Ion Cyclotron Resonance (FTICR) mass spectrometer. It reacts with alkanes by hydride abstraction allowing characterization and quantification of alkanes up to C4 and cyclic. With larger alkanes fragmentation occurs. Fluorocarbons react by fluoride abstraction. Rate coefficients have been

  在紧凑型傅里叶变换离子回旋共振 (FTICR) 质谱仪中，三氟甲基离子 CF3+ 被评估为化学电离 (CI) 前体。它通过氢化物提取与烷烃反应，允许对高达 C4 和环状的烷烃进行表征和量化。对于较大的烷烃，会发生碎裂。碳氟化合物通过提取氟化物进行反应。已经测量了与烷烃、氟烷烃、氯氟烷烃以及几种常见 VOC 反应的速率系数。使用 + 进行空气中的痕量分析已经在含有痕量丙酮、甲苯、苯和环己烷的空气样品上进行了测试。结果与使用 H3O+ 前体获得的结果一致，并允许额外的环己烷定量。
• A selected ion flow tube study of the reactions of gas-phase cations with PSCl3
  作者：Andrew D.J Critchley、Chris R Howle、Chris A Mayhew、Richard P Tuckett

  DOI：10.1016/j.chemphys.2004.03.033

  日期：2004.8

  A selected ion flow tube was used to investigate the positive ion chemistry of thiophosphoryl chloride, PSCl3. Rate coefficients and ion product branching ratios have been determined at room temperature for reactions with 19 cations; H3O+, CF3+, CF+, NO+, NO2+, SF2+, SF+, CF2+, O2+, H2O+, N2O+, O+, CO2+, CO+, N+, N2+, Ar+, F+ and Ne+ (in order of increasing recombination energy). Complementary data

  使用选定的离子流管研究硫代磷酰氯PSCl 3的正离子化学性质。已在室温下确定了与19种阳离子反应的速率系数和离子产物支化比。H 3 O +，CF 3 +，CF +，NO +，NO 2 +，SF 2 +，SF +，CF 2 +，O 2 +，H 2 O +，N 2 O +，O +，CO 2 +，CO +，N +，N 2 +，Ar +，F +和Ne +（按增加重组能的顺序）。通过观察阈值光电子光子重合，已经获得了该分子的先前数据中所述的补充数据。对于重组能在10–22 eV范围内的离子，比较了来自光电离和离子分子反应的PSCl 3的产物离子支化比。在大多数情况下，这两个实验的数据具有良好的相关性，表明长距离电荷转移是这些离子-分子反应的主要机制。该协议对原子离子Ar +特别有利，F +和Ne +。但是，某些反应（例如O 2 +  + PSCl 3）表现出显着差异。在形成离子-分子复合物之后，必须进行短程电荷转移。对于重组能小于10
• Dissociative charge‐transfer reactions of Ar⁺ with CF_<i>n</i>Cl_4−<i>n</i> at thermal energy
  作者：Masaharu Tsuji、Tsuyoshi Funatsu、Hiroyuki Kouno、Yukio Nishimura、Hiroshi Obase

  DOI：10.1063/1.461918

  日期：1992.3

  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&gt;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.