fluoromethylium | 35310-31-7

• 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: fluoromethylium
• 英文别名: fluoromethyl(1+)；fluoromethane
• CAS: 35310-31-7
• 化学式: CH₂F
• 分子量: 33.0253
• InChiKey: PKLXDLMJLQDMCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  2
• 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：
  1

反应信息

• 作为反应物：
  描述：

  fluoromethylium 以 gas 为溶剂， 生成 fluorocarbene(1+)
  参考文献：
  名称：

  快束中多原子离子的单光子红外光解离

  摘要：

  DOI：

  10.1021/j100295a030
• 作为产物：
  描述：

  氟甲烷 以 neat (no solvent) 为溶剂， 生成 fluoromethylium
  参考文献：
  名称：

  An Electron-Impact Study of Ionization and Dissociation in Methoxy- and Halogen-Substituted Methanes¹

  摘要：

  DOI：

  10.1021/ja00959a004

文献信息

• The formation of C3H3 + from the reaction of CH3 + with acetylene
  作者：Alan Mitchell、John K. Conner、Keith Stanney、John M. Tedder

  DOI：10.1039/c39840001529

  日期：——

  A triple quadrupole mass spectrometer has been used to study the reactions of simple even-electron ions (e.g. CH3+, CH2F+, etc.) with acetylene and substituted acetylenes; CH3+ reacts with C2H2 to give C3H3+ in very high yield.

  甲三重四极质谱仪已被用于研究简单偶电子离子的反应（例如， CH 3 +，CH 2 ˚F +，等等。）与乙炔和取代的乙炔; CH 3 +与C 2 H 2反应以非常高的产率得到C 3 H 3 +。
• A study of ion–molecule reactions in the gas phase. Part 3. The reactions of methyl and fluoromethyl cations with alkenes and fluoroalkenes in the gas phase
  作者：Keith Stanney、John M. Tedder、Alan L. Mitchell

  DOI：10.1039/p29860001383

  日期：——

  The reactions of CH3+, CH2F+, CHF2+, and CF3+ with ethene, fluoro-, 1,1-difluoro-, trifluoro-, and tetrafluoro-ethene and with propene, but-1-ene, but-2-ene, and 2-methylpropene have been studied in the gas phase. As well as simple charge exchange, addition reactions were observed in which the initial adduct broke down to yield neutral fragments and ions of either general formula (CnX2n+1)+ or (CnX2n–1)+

  CH 3 +，CH 2 F +，CHF 2 +和CF 3 +与乙烯，氟代，1,1-二氟，三氟和四氟乙烯以及丙烯，丁-1-烯的反应，在气相中已经研究了丁-2-烯和2-甲基丙烯。除简单的电荷交换外，还观察到加成反应，其中最初的加合物分解生成中性碎片和离子，通式为（C n X 2 n +1）+或（C n X 2 n –1）+，其中X = H和/或F。初始瞬态加合物离子的断裂通常与氢原子和/或氟原子迁移有关。
• Reactions of Cu⁺(¹S, ³D) with CH₃Cl, CH₂ClF, CHClF₂, and CClF₃
  作者：William S. Taylor、Cullen C. Matthews、Kristin S. Parkhill

  DOI：10.1021/jp046106o

  日期：2005.1.1

  the dominant product channel for Cu+(3D). The resulting CuCl+ product subsequently abstracts Cl- in a secondary process. Tertiary reactions are also observed, which include both hydride abstraction (with CH3Cl) and fluoride abstraction (with the fluorinated neutrals). All product channels can be understood in terms of the known thermochemical and quantum mechanical (i.e., spin) requirements. Cu+(1S)

  使用3.5 Torr的漂移池技术检查了气相Cu +（1S）和Cu +（3D）与CH3Cl，CH2ClF，CHClF2和CClF3的反应。使用电子状态色谱法确定两个铜+态耗竭的特定于状态的产物通道和总体双分子速率常数。Cu +（1S）仅与所有四个中性有关，而Cl抽象是Cu +（3D）的主要产物通道。生成的CuCl +产物随后在二级过程中提取Cl-。还观察到了三次反应，包括氢化物萃取（使用CH3Cl）和氟化物萃取（使用氟化的中性物）。可以根据已知的热化学和量子力学（即自旋）要求来理解所有产品通道。在这些条件下，所有四个中性物质都以ADO速率的30％至40％耗尽了Cu +（1S），而观察到Cu +（3D）则以ADO速率的约80％与CH3Cl，CH2ClF和CHClF2反应。激发态Cu +与CClF3的反应仅发生在ADO速率的7％处。Cu +（3D）的行为与通过金属离子必须仅与Cl相互作用的机理而仅在三重态表面上形成CuCl
• Translational energy-resolved collisionally activated methyl cation transfer from protonated methane to argon, krypton, and xenon and from protonated fluoromethane to argon and molecular oxygen
  作者：Albert J. R. Heck、Leo J. De Koning、Nico M. M. Nibbering

  DOI：10.1021/j100201a035

  日期：1992.10

  Translational energy-resolved collisionally activated gas-phase reactions of protonated methane with argon, krypton, and xenon and of protonated fluoromethane with argon and molecular oxygen are studied using the method of Fourier transform ion cyclotron resonance mass spectrometry. It appears that translationally activated protonated methane can act as a methyl cation donor if the competing proton transfer is energetically less favored. Translational energy-resolved collisionally activated reactions between protonated methane and argon, krypton, and xenon reveal that the methyl cation transfers resulting in the formation of methylargonium, methylkryptonium, and methylxenonium ions all proceed via transition states which are about 0.6 eV higher in energy than the reactants. The results suggest that in these transition states the weakening of the two-electron three-center C-H-H bond in protonated methane is more advanced than the bond formation between the methyl group and the noble gas atom. Similarly, translationally activated protonated fluoromethane can transfer a methyl cation to argon and molecular oxygen via transition states which are about 0.3 and 0.4 eV higher in energy than the reactants, respectively. It is shown that the product ion from the methyl cation transfer from protonated fluoromethane to molecular oxygen has the methylperoxy cation structure.
• Lossing, F. P., Bulletin des Societes Chimiques Belges, 1972, vol. 81, p. 125 - 134
  作者：Lossing, F. P.

  DOI：——

  日期：——