ethylium-1,2-13C2 | 111437-29-7

• 分子结构分类: 有机化合物
• 英文名称: ethylium-1,2-13C2
• CAS: 111437-29-7
• 化学式: C₂
• 分子量: 26.0
• InChiKey: ADIRGMFQWJHVBM-ZDOIIHCHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.16
• 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

• 作为产物：
  描述：

  乙炔 以 solid matrix 为溶剂， 生成 ethylium-1,2-13C2
  参考文献：
  名称：

  碳离子（C2 +）的电子吸收光谱：〜B4.SIGMA.u-.rarw。〜X4.SIGMA.g-

  摘要：

  DOI：

  10.1021/j100310a007

文献信息

• Neon matrix ESR investigation of ¹²C⁺₂ and ¹³C⁺₂ : Confirmation of a ⁴Σ⁻_<i>g</i> ground electronic state
  作者：Lon B. Knight、S. T. Cobranchi、E. Earl

  DOI：10.1063/1.454346

  日期：1988.6.15

  The 12C+2 and 13C+2 cation radicals have been isolated in neon matrices by the photoionization of C2(g) generated by the laser vaporization of thin carbon disks. A new procedure of supporting and thermally outgassing such targets for laser vaporization ESR studies in rare gas matrices is described. The ESR results confirm the 4Σ−g ground electronic state assignment for C+2 and provide a valence orbital electronic structure characterization based on the 13C hyperfine structure (hfs). The ESR lines are extremely narrow for a high-spin powder sample and an intense off-angle or ‘‘extra’’ absorption feature exibits unusual hfs. Normally forbidden (ΔMS&gt;1) transitions were detected at low magnetic fields. The magnetic parameters for 13C+2 in a neon matrix at 4 K are: D=3668(3) MHz; g⊥ =2.0018(5); g∥ =2.0023(5); ‖A∥‖ =99.4(8) MHz; and ‖A⊥‖ =95.2(5) MHz.