Vinylideneamine | 76619-90-4

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: Vinylideneamine
• CAS: 76619-90-4
• 化学式: C₂N
• 分子量: 38.0287
• InChiKey: NWDJGWMPUXYNCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.68
• 重原子数：
  3.0
• 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：
  22.3
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  Vinylideneamine 在 氢气 作用下， 生成 cyanomethylium 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Structural isomers of C2N+: a selected-ion flow tube study

  摘要：

  Reactivities of the structural isomers CCN+ and CNC+ were examined in a selected-ion flow tube at 300 +/- 5 K. The less reactive CNC+ isomer was identified as the product of the reactions of C(+) + HCN and C(+) + C2N2; in these reactions only CNC+ can be produced because of energy constraints. Rate coefficients and branching ratios are reported for the reactions of each isomer with H2, CH4, NH3, H2O, C2H2, HCN, N2, O2, N2O, and CO2. Ab initio calculations are presented for CCN+ and CNC+; a saddle point for the reaction CCN+ --> CNC+ is calculated to be 195 kJ mol-1 above the CNC+. The results provide evidence that the more reactive CCN+ isomer is unlikely to be present in measurable densities in interstellar clouds.

  DOI：

  10.1021/ja00224a008
• 作为产物：
  描述：

  乙腈 生成 Vinylideneamine 、
  参考文献：
  名称：

  Structural isomers of C2N+: a selected-ion flow tube study

  摘要：

  Reactivities of the structural isomers CCN+ and CNC+ were examined in a selected-ion flow tube at 300 +/- 5 K. The less reactive CNC+ isomer was identified as the product of the reactions of C(+) + HCN and C(+) + C2N2; in these reactions only CNC+ can be produced because of energy constraints. Rate coefficients and branching ratios are reported for the reactions of each isomer with H2, CH4, NH3, H2O, C2H2, HCN, N2, O2, N2O, and CO2. Ab initio calculations are presented for CCN+ and CNC+; a saddle point for the reaction CCN+ --> CNC+ is calculated to be 195 kJ mol-1 above the CNC+. The results provide evidence that the more reactive CCN+ isomer is unlikely to be present in measurable densities in interstellar clouds.

  DOI：

  10.1021/ja00224a008

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.D1, 4.7, page 63 - 68
  作者：

  DOI：——

  日期：——
• Isomers and reactivity of C3N+: an experimental study
  作者：Simon Petrie、Kathryn M. McGrath、Colin G. Freeman、Murray J. McEwan

  DOI：10.1021/ja00049a054

  日期：1992.11

  The C3N+ ion, generated by electron impact on HC3N and C4N2 and as a product in several ion-molecule reactions, was found to exist in two isomeric forms: CCCN+ and cylic C3N+. These forms were distinguished by their different reactivities with a range of neutral reagents in a selected-ion flow tube (SIFT). Isomeric identification was made by reference to existing ab initio calculations. The most reactive isomer, CCCN+, was the major form (greater-than-or-equal-to 90%) of the C3N+ ion from all sources of production examined and was found to undergo collision-rate reactions with most of the neutral molecules studied. c-C3N+ was much less reactive, which implies an activation barrier in its reactions as it is the higher energy form. Product distributions are reported for the reactions of CCCN+, and rate coefficients for the reactions of both isomers with H-2, CH4, NH3, H2O, N2, O2, CO, C2H2, HCN, CO2, and C2N2 at 300 +/- 5 K are also given.
• Mass‐Spectrometric Study of Photoionization. VIII. Dicyanogen and the Cyanogen Halides
  作者：Vernon H. Dibeler、Susan K. Liston

  DOI：10.1063/1.1701666

  日期：1967.12

  Photoionization-yield curves are obtained for the molecule and selected radical ions of C2N2, FCN, ClCN, BrCN, and ICN from threshold to 600 Å. Vibrationally excited states of ions and autoionization of Rydberg levels in the molecules are observed and discussed briefly. The X+ ion thresholds in the heavier cyanogen halides are used to obtain: ΔHf0o (CN) = 101.5 kcal mole−1, ΔHf0o (CN+) = 430.0 kcal mole−1, and I (CN) = 14.2 eV. These are applied to compute ΔHf0o (FCN) = 5.6 kcal mole−1, D (F–CN) = 5.0 eV, I (C2) = 12.15 eV, and other thermodynamic properties. The formation of CN+ from dicyanogen apparently includes about 0.6 eV excess energy near the threshold.
• Gas-phase reactions of some positive ions with atomic and molecular nitrogen
  作者：Graham B. I. Scott、David A. Fairley、Colin G. Freeman、Murray J. McEwan、Vincent G. Anicich

  DOI：10.1063/1.477571

  日期：1998.11.22

  The reactions of the cations CN+, HCN+, HCNH+, HC3N+, HC3NH+, H3+, H2O+, H3O+, N2+, CO+, HCO+, O2+, CO2+, HCO2+, and C2H2+ with atomic and molecular nitrogen have been characterized using a selected ion flow tube (SIFT) operating at room temperature. Rate coefficient and branching ratio data are reported for all ion–neutral reactions studied. Constraints arising from spin conservation considerations are found to be unimportant in cation-N atom processes.