cyclopropylgermane | 86280-02-6

• 分子结构分类: 有机化合物 - 有机金属化合物
• 英文名称: cyclopropylgermane
• CAS: 86280-02-6
• 化学式: C₃H₈Ge
• 分子量: 116.687
• InChiKey: ZDQWHGXPJKDDJV-UHFFFAOYSA-N

物化性质

• 沸点：
  42.3-42.5 °C(Press: 710 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.07
• 重原子数：
  4
• 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：

  三氯(环丙基)锗烷 在 lithium aluminium tetrahydride 作用下， 以 二丁醚 为溶剂， 以14%的产率得到cyclopropylgermane
  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

• Barriers to internal rotation of cyclopropylsilane-d3 and cyclopropylgermane from combination band spectra
  作者：M.B. Kelly、J. Laane、M. Dakkouri

  DOI：10.1016/0022-2852(89)90270-1

  日期：1989.9

  difference bands of cyclopropylsilane- d 3 in the 1400–1700 cm −1 region arising from combinations of the internal rotation with the SiD stretching mode have been recorded and analyzed. The data correspond to a barrier to internal rotation of 651 cm −1 , somewhat less than the value of 694 cm −1 determined for the undeuterated species. Similarly, the combination band spectra of cyclopropylgermane in the 1950–2200

  摘要 记录并分析了内旋与SiD拉伸模式组合产生的环丙基硅烷-d 3 在1400-1700 cm -1 区域的和差带和差带。数据对应于651 cm -1 的内部旋转障碍，略小于为未氘化物种确定的694 cm -1 值。类似地，环丙基锗烷在 1950-2200 cm -1 区域的组合带光谱建立了 474 cm -1 的锗基旋转障碍。这些结果证实，甲硅烷基与环丙基环的连接导致比与其他硅烷以及甲基环丙烷和环丙基锗烷相比所预期的更高的屏障。
• Experimental and theoretical investigation of the molecular structure of cyclopropylgermane
  作者：Marwan Dakkouri

  DOI：10.1021/ja00019a004

  日期：1991.9

  In this work the gas-phase molecular structure of cyclopropylgermane (CPG) has been investigated by electron diffraction and ab initio molecular orbital calculations. The geometry optimization has been performed with use of the basis sets 3-21G*, 4-21G*, and STO-3G. The ring parameters (r(a) values with 3-sigma uncertainties) derived from the electron diffraction study are the following: r(C1-C2) = 1.521 (7) angstrom, r(C2-C3) = 1.502 (9) angstrom, r(C-H) = 1.091 (3) angstrom, and angle H-C-H = 118.2 (2.3)-degrees. Other parameters are r(Ge-C) = 1.924 (2) angstrom, angle C1-Ge-H6 = 108.8 (1.2)-degrees, angle C1-Ge-ring plane = 55.5 (1.6)-degrees, angle C1-H5-ring plane = 57.3 (1.9)-degrees. Furthermore, both the experimental and the theoretical studies have revealed that the GeH3 group is tilted toward the ring plane. The values for this tilt angle obtained from electron diffraction and from calculations are 3.4 (2.0)-degrees and 2.1-degrees (when the 4-21G* basis set is used), respectively. This tilt has been rationalized to be the result of hyperconjugative interaction. The geometric parameters of cyclopropylmonofluorogermane, cyclopropyldifluorogermane, and cyclopropyltri-fluorogermane also have been optimized. The progressive shortening of the Ge-F bond with increasing fluorination is interpreted as being the consequence of a fluorine negative hyperconjugation effect. The barrier heights for internal rotation for the GeH3 and SiH3 groups and their fluorinated counterparts in various compounds have been calculated. Furthermore, the structural results obtained assess the strong pi-donor character of the cyclopropyl system and demonstrate that pi-acceptor ability of the germyl group is less pronounced than that of the silyl group.
• 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：——