gallium monohydride | 13572-92-4

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 后过渡金属有机物
• 英文名称: gallium monohydride
• 英文别名: gallium hydride；lambda1-Gallane；λ1-gallane
• CAS: 13572-92-4
• 化学式: GaH
• 分子量: 70.7309
• InChiKey: XBIFJPLECUHRFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.65
• 重原子数：
  1
• 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：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  氢化镓 、 氢气 以 gaseous matrix 为溶剂， 生成 gallium monohydride
  参考文献：
  名称：

  High resolution infrared emission spectra of GaH and GaD

  摘要：

  The high resolution infrared emission spectra of gallium hydride and gallium deuteride have been recorded with a Fourier transform spectrometer. There were 1045 lines observed including those from the v=1→0 to v=7→6 bands for the 69GaD and 71GaD species and v=1→0 to v=4→3 bands for the 69GaH and 71GaH species. Dunham Yij’s for each isotopomer were obtained by fitting the data set of each isotopomer separately to the Dunham energy levels of the X 1Σ+ electronic ground state. The mass-reduced Dunham Uij’s were determined using two independent methods. In the first fit the Uij’s constants were determined by the traditional method where all the constants were treated as adjustable parameters and determined statistically. In the second fit the Uij’s which satisfied the condition j<2 were treated as adjustable parameters and the remaining constants were fixed by constraints imposed by the Dunham model. In order to predict the positions of transitions with v’s and J’s much higher than those observed the entire data set was fit directly to the eigenvalues of the Schrödinger equation containing a parameterized internuclear potential energy function.

  DOI：

  10.1063/1.465613

文献信息

• High resolution infrared emission spectra of GaH and GaD
  作者：J. M. Campbell、M. Dulick、D. Klapstein、J. B. White、P. F. Bernath

  DOI：10.1063/1.465613

  日期：1993.12

  The high resolution infrared emission spectra of gallium hydride and gallium deuteride have been recorded with a Fourier transform spectrometer. There were 1045 lines observed including those from the v=1→0 to v=7→6 bands for the 69GaD and 71GaD species and v=1→0 to v=4→3 bands for the 69GaH and 71GaH species. Dunham Yij’s for each isotopomer were obtained by fitting the data set of each isotopomer separately to the Dunham energy levels of the X 1Σ+ electronic ground state. The mass-reduced Dunham Uij’s were determined using two independent methods. In the first fit the Uij’s constants were determined by the traditional method where all the constants were treated as adjustable parameters and determined statistically. In the second fit the Uij’s which satisfied the condition j<2 were treated as adjustable parameters and the remaining constants were fixed by constraints imposed by the Dunham model. In order to predict the positions of transitions with v’s and J’s much higher than those observed the entire data set was fit directly to the eigenvalues of the Schrödinger equation containing a parameterized internuclear potential energy function.