cyanogen cation | 12539-57-0

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 其他非金属有机物
• 英文名称: cyanogen cation
• 英文别名: Cyan-Kation；Nitridocarbon(1+)；azanylidynemethane
• CAS: 12539-57-0
• 化学式: CN
• 分子量: 26.0177
• InChiKey: NKCCODPFBDGPRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 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：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  氰 生成 cyanogen cation
  参考文献：
  名称：

  Appearance Potential Studies. I. Determination of Excess Kinetic Energy

  摘要：

  The metastable ion suppressor on the Consolidated Engineering Corporation Model 21—103 mass spectrometer has been used as a retarding potential device to determine the excess kinetic energies possessed by the ions formed during appearance potential measurements. The suppressor setting at which an ion beam is extinguished is compared with the extinction setting for an ion beam with no excess energy. These settings are studied as a function of ionizing voltage, extrapolated back to the appearance potential, and converted into units of energy. N+ from N2 was found to have no excess kinetic energy at the appearance potential. CH3+ from C2H6, CH3+ from C3H8, CN+ from C2N2, and CH3+ from C6H5CH3 were all formed with excess kinetic energy. The following quantities were deduced after taking the excess energy into account: D(CH3–CH3)=3.87 volts; D(CH3–C2H5)=3.70 volts; I(CN)=15.13 volts; I(C6H5)=9.90 volts; D(C6H5–CH3)=3.80 volts; D(C6H5–H)=4.64 volts.

  DOI：

  10.1063/1.1740447

文献信息

• HCN2+ dication spectroscopy: theoretical and experimental investigations
  作者：M. Hochlaf、A. Pilcher-Clayton、J.H.D. Eland

  DOI：10.1016/j.chemphys.2004.09.026

  日期：2005.3

  believed to be in low vibrational levels of the X 3Σ− and/or 1Δ and/or 1Σ+ electronic states; some have metastable lifetimes of about 25 ns. The formation of H+ + CN+ products is attributed to predissociation by the lowest 3A″ component resulting from a conical intersection between the X 3Σ− and 3Π states. The overall predissociation processes involve vibronic, Renner–Teller and spin–orbit couplings between

  本工作结合了HCN 2+的实验和理论研究，以研究该药物的光谱学和解离动力学。它的光谱是重叠特征的复杂混合，与理论计算一致，该理论计算表明HCN 2+的低电子态表现出Renner-Teller和振动相互作用。在所研究的所有电子态中，双电离光谱主要受C–N拉伸激发的支配。长寿命HCN 2+离子观察到被认为是在X的低振动能级 3 Σ -和/或1 Δ和/或1 Σ +电子状态 有些具有约25 ns的亚稳态寿命。H的形成+  + CN +产品是由最低归因于预离解3从X之间的锥形交点A“组分所得 3 Σ -和3个Π状态。总体预离解过程涉及HCN 2+几种电子状态之间的振动，Renner-Teller和自旋-轨道耦合。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.D1, 1.3, page 21 - 26
  作者：

  DOI：——

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

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.D1, 1.1, page 1 - 7
  作者：

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.D1, 15.11.3, page 206 - 209
  作者：

  DOI：——

  日期：——