chloromethylium | 910211-78-8

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物
• 英文名称: chloromethylium
• 英文别名: chloromethyl(1+)；chloromethane
• CAS: 910211-78-8
• 化学式: CH₂Cl
• 分子量: 49.4799
• InChiKey: LOMLPWHMMSNJJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 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：
  0

反应信息

• 作为反应物：
  描述：

  萘-d8 、 chloromethylium 生成
  参考文献：
  名称：

  Letters to the editor

  摘要：

  DOI：

  10.1002/oms.1210181108
• 作为产物：
  描述：

  [3H]甲基鎓 在 盐酸 作用下， 以 gas 为溶剂， 生成 chloromethylium
  参考文献：
  名称：

  Energy dependencies of fast reactions of positive ions X⁺ with HCl from near thermal to ≂2 eV center‐of‐mass collision energy (X⁺=H⁺,H₂⁺,H₃⁺,N⁺,N₂⁺,Ar⁺,C⁺,CH⁺, CH₂⁺,CH₃⁺,CH₄⁺,CH₅⁺)

  摘要：

  The rate coefficients for the reactions of the ions H+, H2+, H3+, N+, N2+, Ar+, C+, CH+, CH2+, CH3+, CH4+, and CH5+ with HCl have been measured as a function of reactant ion/reactant neutral average center-of-mass kinetic energy (KEc.m.). The measurements were performed using a selected ion flow drift tube operated at 300 K with helium buffer gas. Most of these reactions have rate coefficients close to their collisional values at ambient temperature and all of them exhibit a pronounced KEc.m. dependence. A simple model is proposed, in which the measured dependence of the rate coefficients on KEc.m. is expressed in terms of the kinetic-energy dependence of the rate unimolecular decomposition of the intermediate complex formed in the ion-neutral collision.

  DOI：

  10.1063/1.464742

文献信息

• Photodissociation of CH2BrCl at 248 and 193 nm investigated by translational spectroscopy
  作者：W.B. Tzeng、Y.R. Lee、S.M. Lin

  DOI：10.1016/0009-2614(94)00837-x

  日期：1994.9

  The photodissociation of CH2BrCl at 248 and 193 nm has been studied by translational spectroscopy. Both the product translational energy distribution and the anisotropy parameter were derived from the measured time-of-flight spectra. Results show that at 248 nm, CH2BrCl exclusively dissociates to CH2Cl+Br with average translational energy of 20 kcal/mol. On absorption of 193 nm photons, two different

  通过平移光谱研究了CH 2 BrCl在248和193 nm的光解离。产物平移能量分布和各向异性参数均从测得的飞行时间光谱中得出。结果表明，在248 nm处，CH 2 BrCl仅分解为CH 2 Cl + Br，平均平移能为20 kcal / mol。在吸收193 nm光子时，有两种不同的路径：（1）CH 2 BrCl→CH 2 Cl + Br和（2）CH 2 BrCl→CH 2检测到的Br + Cl的平均平移能分别为32和24 kcal / mol。推导反应（1）/（2）的支化比为-4.5。从这两个波长的产物各向异性参数的测量值，我们得出结论，在通过A'←A'跃迁激发后，反应（1）迅速发生。
• 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
• Oxidation of the Perchlorotriphenylmethyl Radical to the Carbocation, and Its Unique Abrupt Reversion
  作者：Manuel Ballester、Carlos Miravitlles、Elies Molins、Conxita Carreras

  DOI：10.1021/jo020615+

  日期：2003.4.1

  A solution of AlCl(3) in CH(2)Cl(2) reacts slowly, at room temperature, with perchlorotriphenylmethyl radical (PTM(*)), an inert carbon free radical, to give perchlorotriphenylmethyl cation (PTM(+)) quantitatively. However, by gradual addition of CH(2)Cl(2) into the resulting solution a point is reached where the PTM(+) reverts to PTM(*) instantaneously and quantitatively. A mechanism for this exceptional

  AlCl（3）在CH（2）Cl（2）中的溶液在室温下与惰性的碳自由基Perchlorotriphenylmethyl基（PTM（*））缓慢反应，定量得到Perchlorotriphenylmethyl阳离子（PTM（+）） 。但是，通过将CH（2）Cl（2）逐渐添加到生成的溶液中，可以达到PTM（+）立即定量地还原为PTM（*）的点。建议了一种解决这种异常现象的机制。报告和讨论了一些PTM（+）反应，即水解产生醌类物质和具有氢化物离子供体的单电子转移。
• 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
• Energy dependence of the reaction of CH⁺₂ with HCl
  作者：J. Glosik、W. Freysinger、W. Lindinger

  DOI：10.1063/1.460907

  日期：1991.8.15

  The energy dependence of the reaction of CH+2 with HCl has been investigated using a selected ion flow drift tube (SIFDT) in the center-of-mass kinetic energy (KEc.m.) range from 0.04–2 eV. The reaction rate coefficient is fast at near thermal energies (k∼1.5×10−9 cm3 s−1) but decreases dramatically with increasing KEc.m. to k<1×10−10 cm3 s−1 at 2 eV, which is quite uncommon for a thermally fast ion–molecule reaction.