hydridodiethylgermylnorbornene | 1353893-88-5

• 分子结构分类: 有机化合物 - 碳氢化合物 - 多环烃
• 英文名称: hydridodiethylgermylnorbornene
• 英文别名: nbeGeHEt2
• CAS: 1353893-88-5
• 化学式: C₁₁H₂₀Ge
• 分子量: 224.87
• InChiKey: RMNIWADFWKTIEB-MTULOOOASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.22
• 重原子数：
  12.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.82
• 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)] 、 二乙基锗烷 以 正己烷 为溶剂， 以5%的产率得到hydridodiethylgermylnorbornene
  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