triethylgermylnorbornene | 1169759-24-3

• 分子结构分类: 有机化合物 - 碳氢化合物 - 多环烃
• 英文名称: triethylgermylnorbornene
• 英文别名: endo-nbeGeHEt3；exo-triethylgermylnorbornane；exo-nbaGeEt3
• CAS: 1169759-24-3
• 化学式: C₁₃H₂₄Ge
• 分子量: 252.924
• InChiKey: DHRQNZODWNQOTJ-AGIUHOORSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.46
• 重原子数：
  14.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.85
• 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：

  [W(CO)4(η4-norbornadiene)] 、 三乙基氢化锗 以 全氘代环己烷 为溶剂， 生成 triethylgermylnorbornene 、 triethylgermylnorbornane
  参考文献：
  名称：

  H–Ge bond activation by tungsten carbonyls: An experimental and theoretical study

  摘要：

  The activation of the Ge-H bond and the formation of several hydride complexes, characterized by high-field resonances, have been detected during the H-1 NMR spectroscopy monitoring of the photochemical reaction of Et3GeH and Et2GeH2 with W(CO)(6) and the norbornadiene complex [W(CO)(4)(eta(4)-nbd)]. The activation of the Ge-H bond of triethylgermane in the photochemical reactions of tungsten(0) complexes has been applied in the hydrogermylation of norbornadiene (nbd), which leads to the formation of endo-triethylgermylnorbornene as the major product. The complex [{W(mu-eta(2)-H-GeEt2)(CO)(4))(2)] has been fully characterized by NMR spectroscopy and by a single-crystal X-ray diffraction study. Evidence for the hydride ligand of the W(mu-eta(2)-H-GeEt2) group has been provided by H-1 NMR spectroscopy (delta = -9.02, (1)J(H-W) = 31 Hz) and by DFT calculations. A DFT study of the structural properties and H-1 NMR chemical shifts of several possible intermediate a and hydride complexes formed during the photochemical reaction of W(CO)(6) and Et2GeH2 has been performed. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.10.040

文献信息

• Activation of the Ge–H bond of Et3GeH in photochemical reaction with molybdenum(0) carbonyl complexes and hydrogermylation of norbornadiene
  作者：Magdalena Zyder、Teresa Szymańska-Buzar

  DOI：10.1016/j.jorganchem.2009.02.013

  日期：2009.6

  resonances in the region from −6 to −8 ppm, have been detected during the 1H NMR spectroscopy monitoring of the photochemical reaction of Et3GeH with Mo(CO)6, [Mo(CO)4(η4-cod)], and [Mo(CO)4(η4-nbd)] in the NMR tube. The activation of the Ge–H bond of germane in photochemical reaction of the norbornadiene (nbd) complex [Mo(CO)4(η4-nbd)] has been applied in the hydrogermylation of norbornadiene, which leads

  锗中间σ络合物，在该区域的特征在于高场共振从-6至-8 ppm时，在已经检测到1 H NMR光谱监测的Et的光化学反应的3 GeH的含Mo（CO）6，[沫（CO）4（η 4 -cod）]和[沫（CO）4（η 4 -nbd）]在NMR管中。锗的锗-H键中的降冰片二烯（NBD）的光化学反应复合物的活化的Mo（CO）4（η 4 -nbd）]已被在降冰片二烯的hydrogermylation，这导致triethylgermylnorbornene的形成施加。