| 139131-19-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 139131-19-4
• 化学式: CH₄Ga
• 分子量: 89.734
• InChiKey: VGIROHCCKBOBLZ-MRPCJXRFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.06
• 重原子数：
  2.0
• 可旋转键数：
  1.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  氢化镓 、 甲烷-D4 以 solid matrix 为溶剂， 生成
  参考文献：
  名称：

  Cryogenic reactions of gallium with molecular hydrogen and methane

  摘要：

  The reactions of gallium with molecular hydrogen and methane have been investigated via FT-IR matrix isolation spectroscopy. It is found that excited atomic gallium reacts with H-2 to yield both GaH and GaH2, where GaH2 is identified as a bent molecule with a bond angle of 136 +/- 5-degrees. The dimer of gallium, Ga2, reacts spontaneously with H-2 to form Ga2(b-H)2 with two bridging hydrogens, which can be converted photoreversibly to Ga2(t-H)2 with two terminal hydrogens. The trimer of gallium, Ga3, has also been isolated and found to react with H-2. The reactions of Ga with CH4 have also been studied in Ar, Kr, and neat CH4 matrices. HGaCH3 was the only photoreaction product identified.

  DOI：

  10.1021/ic00057a026

文献信息

• Electron spin resonance matrix isolation and <i>ab</i> <i>initio</i> theoretical investigations of ^69,71GaH₂, ^69,71GaD₂, H^69,71GaCH₃, and D^69,71GaCD₃
  作者：Lon B. Knight、John J. Banisaukas、Robert Babb、Ernest R. Davidson

  DOI：10.1063/1.471974

  日期：1996.10.22

  First time electron spin resonance studies are reported for various isotopomers of GaH2 and HGaCH3. The radicals were generated in neon matrices at 4 K by the ultraviolet photoexcitation of Ga which undergoes insertion reactions with H2 and CH4. Ab initio calculations with a large uncontracted basis and configuration interaction with all single excitations from the spin-restricted Hartree–Fock configuration gave good agreement with the experimental results and supported the free atom comparison method interpretation of the hyperfine interactions. A comparison with similar radicals is presented, including BH2, AlH2, HAlCH3, HAlOH, and AlH+.