[{(t-Bu)2-aminotroponiminateGe(Se)}2O] | 1485512-36-4

• 英文名称: [{(t-Bu)2-aminotroponiminateGe(Se)}2O]
• 英文别名: [{(t-Bu)₂-aminotroponiminateGe(Se)}₂O]；[{(t-Bu)₂ATIGe(Se)}₂O]
• CAS: 1485512-36-4
• 化学式: C₃₀H₄₆Ge₂N₄OSe₂
• 分子量: 781.821
• InChiKey: MHTQTUJNABTNKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  selenium 、 [{(t-Bu)₂-aminotroponiminateGe}₂O] 以 四氢呋喃 为溶剂， 反应 12.0h， 以88%的产率得到[{(t-Bu)2-aminotroponiminateGe(Se)}2O]
  参考文献：
  名称：

  Digermylene Oxide Complexes: Facile Synthesis and Reactivity

  摘要：

  A simple heating of aminotroponiminate (ATI) ligand stabilized germylene monochlorides [(R)(2)ATIGeCl] (R = t-Bu 1, i-Bu 2) with an excess of potassium hydroxide in toluene resulted in the first ATI ligand stabilized digermylene oxides [{(R)(2)ATIGe}(2)O] (R = t-Bu 3, i-Bu 4), respectively. Reaction of compound 3 with elemental sulfur and selenium gave the first germaacid anhydride complexes [{(t-Bu)(2)ATIGe(E)}(2)O] (E = S 5, Se 6) with (S)Ge-O-Ge(S) and (Se)Ge-O-Ge(Se) moieties, respectively. The digermylene oxide complexes 3 and 4 and germaacid anhydride complexes 5 and 6 were characterized by multinuclear NMR spectroscopy and single-crystal X-ray diffraction analysis. In its Se-77 NMR spectrum, compound 6 showed a resonance at -78.9 ppm. The Ge-O-Ge bond angles in compounds 5 and 6 are 178.66(2)degrees and 179.81(2)degrees, respectively. To understand further the bonding features, DFT calculations followed by MO, AIM, and NBO analysis were carried out on compounds 3, 5, and 6. The computed Wiberg bond indices of Ge-O bonds are slightly less than 0.5 in all the aforementioned compounds, and the same for the Ge=E bonds in compounds 5 and 6 are close to 1.4.

  DOI：

  10.1021/ic401720e