Bromacetonitril-79Br | 148614-55-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Bromacetonitril-79Br
• CAS: 148614-55-5
• 化学式: C₂H₂BrN
• 分子量: 119.045
• InChiKey: REXUYBKPWIPONM-KTXUZGJCSA-N

反应信息

• 作为反应物：
  描述：

  Bromacetonitril-79Br 在 氢溴酸 作用下， 以 gas 为溶剂， 生成 Bromacetonitril-81Br 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  马库斯理论在气相反应SN2应用：实验支持马库斯理论加性假设的

  摘要：

  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.

  DOI：

  10.1021/j100152a021