2-propynylgermane | 254995-80-7

• 分子结构分类: 有机化合物 - 乙炔化物 - 碳化物
• 英文名称: 2-propynylgermane
• 英文别名: (Prop-2-yn-1-yl)germane；prop-2-ynylgermane
• CAS: 254995-80-7
• 化学式: C₃H₆Ge
• 分子量: 114.671
• InChiKey: YZGMWLSXYFTLLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  4
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 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：

  propargyltrichlorogermane 、 lithium aluminium tetrahydride 以 further solvent(s) 为溶剂， 以78%的产率得到2-propynylgermane
  参考文献：
  名称：

  Molecular structure of propargylgermane (2-propynylgermane) determined by gas-phase electron diffraction and quantum chemical calculations

  摘要：

  The molecular structure of propargylgermane, HC CCH2GeH3, has been determined by gas-phase electron diffraction. The electron-diffraction investigation has been supported by density functional theory and ab initio calculations. The r(a) value of the bond lengths (pm) are: r(C-Ge)=197.2(1); r(C-C)=143.9(2); r(C C)=123.1(1); r(H-C-acetylene)=108.5(3); r(C-H)=111.6(3) and r(Ge-H-average)=153.7(2). The Ge-C-C angle is 111.7(1)degrees and the C-C C angle is 178.3(4)degrees. The uncertainties are one standard deviation from the least-squares refinement. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2005.06.047

文献信息

• Molecular structure of propargylgermane (2-propynylgermane) determined by gas-phase electron diffraction and quantum chemical calculations
  作者：Tatyana Strenalyuk、Svein Samdal、Harald Møllendal、Jean-Claude Guillemin

  DOI：10.1016/j.molstruc.2005.06.047

  日期：2006.1

  The molecular structure of propargylgermane, HC CCH2GeH3, has been determined by gas-phase electron diffraction. The electron-diffraction investigation has been supported by density functional theory and ab initio calculations. The r(a) value of the bond lengths (pm) are: r(C-Ge)=197.2(1); r(C-C)=143.9(2); r(C C)=123.1(1); r(H-C-acetylene)=108.5(3); r(C-H)=111.6(3) and r(Ge-H-average)=153.7(2). The Ge-C-C angle is 111.7(1)degrees and the C-C C angle is 178.3(4)degrees. The uncertainties are one standard deviation from the least-squares refinement. (c) 2005 Elsevier B.V. All rights reserved.