cyclobutylgermane | 86280-03-7

• 分子结构分类: 有机化合物 - 有机金属化合物
• 英文名称: cyclobutylgermane
• CAS: 86280-03-7
• 化学式: C₄H₁₀Ge
• 分子量: 130.713
• InChiKey: JNOOREKFTJBKFW-UHFFFAOYSA-N

物化性质

• 沸点：
  73-74 °C(Press: 715 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  0.32
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  trichlorocyclobutylgermane 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 以45%的产率得到cyclobutylgermane
  参考文献：
  名称：

  Dakkouri, Marwan; Kehrer, Hermann, Chemische Berichte, 1983, vol. 116, # 5, p. 2041 - 2043

  摘要：

  DOI：

文献信息

• Structure and conformation studies from temperature dependent infrared spectra of xenon solutions and ab initio calculations of cyclobutylgermane
  作者：Gamil A. Guirgis、Joshua J. Klaassen、Bhushan S. Deodhar、Dattatray K. Sawant、Savitha S. Panikar、Horace W. Dukes、Justin K. Wyatt、James R. Durig

  DOI：10.1016/j.saa.2012.09.038

  日期：2012.12

  The infrared spectra (3500-220 cm(-1)) of cyclobutylgermane, c-C4H7GeH3 have been recorded of the gas. Also variable temperature (-65 to -100 degrees C) studies of the infrared spectra (3500-400 cm(-1)) of the sample dissolved in liquid xenon were recorded and both the equatorial and axial conformers were identified. The enthalpy difference has been determined from 10 band pairs 8 temperatures to give 112 +/- 11 cm(-1) (1.34 +/- 0.13 kJ mol(-1)) with the equatorial conformer the more stable form. The percentage of the axial conformer present at ambient temperature is estimated to be 37 +/- 1%. From ab initio calculations conformational stabilities have been predicted from both MP2(full) and density functional theory calculations from a variety of basic sets. The r(0) structure parameters have been obtained for both conformers from the previously reported rotational constants from the three isotopologues. The determined heavy atom distances for the equatorial [axial] form are (angstrom) Ge-C-alpha = 1.952(3)[1.950(3)], C-alpha-C-beta, C-beta' = 1.557(3)[1.565(3)], C-gamma-C-beta, C-beta' = 1.551(3) [1.551(3)] and angles in degrees (degrees) angle GeC alpha C beta = 118.6(5) [113.4(5)], angle C beta C alpha C beta' = 88.3(5)[88.0(5)], angle C alpha C beta C gamma = 87.8(5) [88.8(5)], angle C beta C gamma C beta' = 88.7(5)[89.0(5)] and a puckering angle of 29.1(5) [25.1(5)]. Data from ab initio calculations were used to predict vibrational harmonic force constants, fundamental wavenumbers, infrared intensities, Raman activities and depolarization ratios for both conformers. The results are compared to the corresponding properties of some related molecules. (c) 2012 Published by Elsevier B.V.
• DAKKOURI, M.;KEHRER, H., CHEM. BER., 1983, 116, N 5, 2041-2043
  作者：DAKKOURI, M.、KEHRER, H.

  DOI：——

  日期：——
• Dakkouri, Marwan; Kehrer, Hermann, Chemische Berichte, 1983, vol. 116, # 5, p. 2041 - 2043
  作者：Dakkouri, Marwan、Kehrer, Hermann

  DOI：——

  日期：——