甲基镓氢化物 | 139131-18-3

• 分子结构分类: 有机化合物
• 中文名称: 甲基镓氢化物
• 英文名称: methylgallium hydride
• CAS: 139131-18-3
• 化学式: CH₄Ga
• 分子量: 85.7658
• InChiKey: VGIROHCCKBOBLZ-UHFFFAOYSA-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：
  0.0
• 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 在 methane 作用下， 以 solid matrix 为溶剂， 生成 甲基镓氢化物
  参考文献：
  名称：

  Activation of methane with metal atoms at 10 K without photolysis

  摘要：

  DOI：

  10.1021/ja00349a029

文献信息

• Cryogenic reactions of gallium with molecular hydrogen and methane
  作者：Z. L. Xiao、R. H. Hauge、J. L. Margrave

  DOI：10.1021/ic00057a026

  日期：1993.3

  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.
• 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+.
• Chemical quenching of excited-state gallium (2S) atoms by methane in argon matrixes
  作者：Rick D. Lafleur、J. Mark Parnis

  DOI：10.1021/j100185a009

  日期：1992.3

  The ground- and excited-state reactions of matrix-isolated gallium atoms with methane have been investigated by UV-visible and infrared spectroscopies. Gallium atoms were co-condensed with methane-doped argon (1:10 CH4/Ar) at 12 K. No evidence was found for a ground-state reaction. Gallium atom photoexcitation at 354 nm (2S <-- 2P) resulted in rapid disappearance of all Ga UV absorptions, and the appearance of IR absorptions, which are attributed to methylgallium hydride. IR vibrational mode assignments were made with the aid of data from isotopically substituted molecules formed in CD4- and (CH4)-C-13-doped argon matrices. Subsequent visible broad-band photoexcitation (> 495 nm) of matrices containing CH3GaH caused complete removal of all IR absorptions due to CH3GaH and full recovery of UV-visible absorptions due to Ga atoms, indicating that the reaction is fully photoreversible.