cyanomagnesium hydride | 74758-76-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: cyanomagnesium hydride
• CAS: 74758-76-2
• 化学式: CMgN
• 分子量: 50.3227
• InChiKey: MDLFBFMONPIWLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.36
• 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：
  23.79
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  氰 、 magnesium 以 gaseous matrix 为溶剂， 生成 cyanomagnesium hydride
  参考文献：
  名称：

  Rotational spectra in the ν₂vibrationally excited states of MgNC

  摘要：

  The pure rotational spectra of MgNC in the ν2 (bending) vibrationally excited states were observed in the 310–380 GHz region to study the linearity of the molecule. The observed 90 spectral lines were assigned to the transitions in the v2=1–5 states and analyzed to determine a set of molecular constants in each state. The bending vibrational frequency was estimated to be 86 cm−1 from the l-type doubling constant of the v2=1 state. The interval of the Φ and Π states in v2=3 was determined to be 29.2280(24) cm−1, giving the anharmonicity constant xll=3.8611(9) cm−1 with one standard deviation in parentheses, which indicates that the molecule has a linear form. However, somewhat peculiar properties were recognized in dependence of the observed l-type resonance and vibration-rotation constants on the v2 vibrational quantum number, suggesting an effect of anharmonicity.

  DOI：

  10.1063/1.470784

文献信息

• Fukushima, Masaru; Ishiwata, Takashi, Journal of Chemical Physics, p. 1 - 15
  作者：Fukushima, Masaru、Ishiwata, Takashi

  DOI：——

  日期：——