Methylchlorid-37Cl | 1762-22-7

• 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: Methylchlorid-37Cl
• 英文别名: Methylchlorid；(37Cl)chloranylmethane
• CAS: 1762-22-7
• 化学式: CH₃Cl
• 分子量: 52.0348
• InChiKey: NEHMKBQYUWJMIP-HQMMCQRPSA-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：
  1.0
• 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：

  氯甲烷 在 盐酸 作用下， 生成 Methylchlorid-37Cl
  参考文献：
  名称：

  The gas phase displacement reaction of chloride ion with methyl chloride as a function of kinetic energy

  摘要：

  DOI：

  10.1021/ja00229a064

文献信息

• Gas-phase nucleophilic displacement reactions
  作者：William N. Olmstead、John I. Brauman

  DOI：10.1002/jms.1190301204

  日期：1995.12

  Displacement reactions of each of a variety of anionic nucleophiles reacting with each of a variety of neutrals have been studied by pulsed ion cyclotron resonance (ICR) spectroscopy. Rate constants for these reactions are interpreted in terms of a three-step reaction sequence. RRKM calculations are used to obtain information about the energy of transition states. The origin of the barrier to reaction in solution is discussed.

  利用脉冲离子回旋共振（ICR）谱学研究了各种阴离子亲核试剂与各种中性分子之间的取代反应。通过对反应速率常数的解析，将其归结为三步反应序列。采用RRKM计算方法来获取过渡态能量的信息。此外，还讨论了溶液中反应势垒的起源。
• Application of Marcus theory to gas-phase SN2 reactions: experimental support of the Marcus theory additivity postulate
  作者：Brian D. Wladkowski、John I. Brauman

  DOI：10.1021/j100152a021

  日期：1993.12

  Through the analysis of sufficiently fast identity exchange reactions, the Marcus theory additivity postulate has been tested and verified for two sets of gas-phase SN2 reactions: X- + RCH2Y --> XCH2R + Y- (where X and Y = Cl and/or Br and R = CN, C6H5). Statistical RRKM theory, within the microcanonical variational transition state (muVTS) approximation, is used to interpret the experimental kinetic data for each reaction to estimate the activation energies relative to separated reactants. Complexation energies, determined experimentally, are used in conjunction with the data from the RRKM analysis to obtain potential surface energetics. The Marcus expression is then used to determine whether the intrinsic component of the activation energy for the cross reaction is the mean of the activation energies for the two corresponding identity exchange reactions. Good agreement is found for R = C6H5 and CN.