methyl-(13)C-germane | 106694-05-7

• 分子结构分类: 有机化合物
• 英文名称: methyl-(13)C-germane
• CAS: 106694-05-7
• 化学式: CH₆Ge
• 分子量: 91.6376
• InChiKey: FOTXTBSEOHNRCB-OUBTZVSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 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

• 作为反应物：
  描述：

  methyl-(13)C-germane 在 Br₂ 作用下， 以 not given 为溶剂， 生成 methyl-(13)C-germyl bromide
  参考文献：
  名称：

  甲基氟锗烷的微波光谱、rs 结构和内旋光

  摘要：

  摘要 测定了甲基氟锗烷及其17种同位素的微波光谱。对于具有CH 3 和CD 3 基团的物质，同时测定旋转、离心变形常数和与甲基内旋相关的量。对 CH 2 DGeH 2 F 进行了光谱分裂的四边形分析。从观察到的转动惯量，rs 结构已经很好地建立。通过与类似分子的结果进行比较，对分子结构进行了讨论。特别地，考虑了GeH 2 基团的角度关系和甲基的倾角。

  DOI：

  10.1016/0022-2852(89)90157-4
• 作为产物：
  描述：

  bromogermanate 在 isotopic methyl Grignard reagent 作用下， 以 二丁醚 为溶剂， 生成 methyl-(13)C-germane
  参考文献：
  名称：

  甲基氟锗烷的微波光谱、rs 结构和内旋光

  摘要：

  摘要 测定了甲基氟锗烷及其17种同位素的微波光谱。对于具有CH 3 和CD 3 基团的物质，同时测定旋转、离心变形常数和与甲基内旋相关的量。对 CH 2 DGeH 2 F 进行了光谱分裂的四边形分析。从观察到的转动惯量，rs 结构已经很好地建立。通过与类似分子的结果进行比较，对分子结构进行了讨论。特别地，考虑了GeH 2 基团的角度关系和甲基的倾角。

  DOI：

  10.1016/0022-2852(89)90157-4

文献信息

• Spectra and structure of organogermanes. XXIV. Microwave spectra, quadrupole coupling constants, and structure of methylgermyl bromide
  作者：J. R. Durig、J. F. Sullivan、A. B. Mohamad、Stephen Cradock、Y. S. Li

  DOI：10.1063/1.449889

  日期：1986.5.15

  The microwave spectra from 26.5 to 39.0 GHz of eighteen isotopic species of methylgermyl bromide, 12CH3GeH2Br, 12CH3GeD2Br, and 13CH3GeH2Br for three of the naturally occurring isotopes of germane, 70Ge, 72Ge, and 74Ge, as well as the two of bromine, 79Br and 81Br, have been measured and assigned. From these data, substitution structural parameters were determined except for the methyl group. The determined parameters are: r(Ge–Br)=2.308±0.002 Å, r(Ge–C)=1.933±0.002 Å, r(Ge–H)=1.520±0.001 Å, r(C–Hs)=1.100±0.012 Å, r(C–Ha)=1.097±0.030 Å, CGeBr=107.0±0.2°, HGeH=111.5±0.1°, HGeC=112.2±0.1°, GeCHs=110.3±4.7°, and GeCHa=111.9±1.7°. From a diagnostic least-squares adjustment to fit 36 rotational constants, r0 structural parameters were also obtained. Quadrupolar coupling constants have been obtained. These results are compared to similar quantities in some related molecules.
• Spectra and structure of organogermanes. XXII. Microwave, infrared, and Raman spectra of methylgermyl cyanide
  作者：J. R. Durig、A. B. Mohamad、G. M. Attia、Y. S. Li、Stephen Cradock

  DOI：10.1063/1.449802

  日期：1985.7

  The microwave spectra have been recorded from 18.0 to 26.5 GHz for 12CH3GeH212C14N, 13CH3GeH212C14N, 12CH3GeH212C15N, 12CH3GeH213C14N, 12CH3GeD212C14N, and 12CD3GeH212C14N of the four naturally occurring isotopes of germane: 70Ge, 72Ge, 74Ge, and 76Ge. Only a-type transitions were observed and R-branch assignments have been made for all the isotopic species in the ground vibrational state from which the rotational constants were determined. From these data the complete structural parameters were determined to be r0(CME–Ge)=1.933±0.002 Å, r(Ge–CCN)=1.927±0.004 Å, r(C≡N)=1.155±0.004 Å, r(Ge–H)=1.521±0.001 Å, r(C–Hs)=1.092±0.005 Å, r(C–Ha)=1.092±0.005 Å, ∢CGeC=107.36°±0.60°, ∢HGeH=111.41°±0.04°, ∢HGeCMe=112.92°±0.08°, ∢HsCGe=109.5°±2.0°, and <HaCGe=109.3°±0.8°, where all of the parameters are rs values except for the carbon–hydrogen distances and angles. The dipole moment components were determined from the Stark effect to be ‖μa‖=4.20±0.14, ‖μb‖=0.39±0.03, and ‖μt‖=4.22±0.14 D. From the microwave splitting method, the threefold barrier to internal rotation was determined to be 1148±23 cal/mol (402±8 cm−1). The infrared (3200 to 50 cm−1) and Raman spectra (3200 to 10 cm−1) of gaseous and solid CH3GeH2CN, CH3GeD2CN, and CD3GeH2CN have been obtained. Additionally, the Raman spectra of the liquids have been recorded and qualitative depolarization values have been obtained. A complete vibrational assignment is proposed based on infrared band contours, depolarization values, and isotopic shifts. These results are compared to similar quantities in some related molecules.