chlorocarbene(1+) | 89877-51-0

• 分子结构分类: 无机化合物 - 均质非金属化合物
• 英文名称: chlorocarbene(1+)
• CAS: 89877-51-0
• 化学式: CHCl
• 分子量: 48.4719
• InChiKey: BVQGJMICWMLGPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.89
• 重原子数：
  2.0
• 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

• 作为反应物：
  描述：

  chlorocarbene(1+) 在 氢气 作用下， 生成 氯甲烷
  参考文献：
  名称：

  The formation, stability and decomposition of [RXH]+ (XNH2, SH, OH and Cl) ions during hydrogen chemical ionization mass spectrometry

  摘要：

  AbstractThe relevant peaks of the H2 chemical ionization mass spectra of C1C4 amines, thiols, alcohols and chloroalkanes are reported. The stability of alkylonium ions is discussed on the basis of the proton affinity of the starting neutrals, the substituent alkyl group, and the functional group. The main decomposition paths of [M+1]+ ions are described, and the formation of significant ions is discussed.

  DOI：

  10.1002/oms.1210170609
• 作为产物：
  描述：

  二氯氟甲烷 以 neat (no solvent) 为溶剂， 生成 chlorocarbene(1+)
  参考文献：
  名称：

  Hobrock; Kiser, Journal of Physical Chemistry, 1964, vol. 68, p. 575

  摘要：

  DOI：

文献信息

• Dynamics of chemical and charge-transfer reactions of molecular dications : Part V. An experimental and theoretical study of reactions between CHCl²⁺and Ar, Kr and Xe
  作者：Jana Roithová、Ján Žabka、Roland Thissen、Zdenek Herman

  DOI：10.1039/b302537c

  日期：——

  CHCl2+ and noble gases Ar, Kr and Xe were investigated in crossed-beam scattering experiments. Translational energy distributions of the charge-transfer product CHCl+ revealed that two isomers of CHCl2+ of different energetics were taking part in these processes. In reactions with Ar, the charge-transfer products are formed mainly in reactions of the CCl–H2+ isomer (its electronic states are indicated

  在交叉束散射实验中研究了双阳离子 CHCl2+ 与稀有气体 Ar、Kr 和 Xe 之间的非解离电荷转移过程。电荷转移产物 CHCl+ 的平移能量分布表明，具有不同能量学的两种 + 异构体参与了这些过程。在与 Ar 的反应中，电荷转移产物主要在基态 (iS0) 和第一激发态 (iT1) 中的 CCl–H2+ 异构体（其电子态由异构体前缀“i”表示）的反应中形成，导致阳离子 CCl-H+ 的基态 (iD0) 和第一激发态 (iD1)。部分振动激发产物 (iD0) 可能进一步解离以产生 CCl+ + H。然而，系统中与 Ar 的主要反应是另一个异构体的质子转移过程，H–CCl2+（不带前缀的电子态），H– +(S0) 导致 CCl+ + ArH+。与 Kr 的主要反应是导致双阳离子-阳离子跃迁的电荷转移：CClH2+(iS0) → CClH+(iD0)、CClH2+(iS0) →
• 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.
• 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⁺)
  作者：J. Glosik、W. Freysinger、A. Hansel、P. Spanel、W. Lindinger

  DOI：10.1063/1.464742

  日期：1993.5

  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.
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.D2, 2.8.10, page 50 - 50
  作者：

  DOI：——

  日期：——