Nb(η(5)-C5H4(SiMe3))2(O2C(O)-O,O')(1-) | 186654-11-5

• 英文名称: Nb(η(5)-C5H4(SiMe3))2(O2C(O)-O,O')(1-)
• CAS: 186654-11-5
• 化学式: C₁₇H₂₆NbO₃Si₂
• 分子量: 427.469
• InChiKey: XONSCTGJDKFVLM-UHFFFAOYSA-L

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

• 作为反应物：
  描述：

  Nb(η(5)-C5H4(SiMe3))2(O2C(O)-O,O')(1-) 以 四氢呋喃 为溶剂， 生成 Nb(η(5)-C5H4(SiMe3))2(O2C(O)-O,O')
  参考文献：
  名称：

  Electrochemical synthesis and reactivity of carbonato-niobocene complexes

  摘要：

  The addition of the CO32- dianion to the electrogenerated species Nb(eta(5)-C(5)H(5)RR')(2)Cl (2: R = H, R' = SiMe(3); 2': R = R' = SiMe(3)) gives in ca. 50% yields the anionic carbonate niobium(III) complex [Nb(eta(5)-C(5)H(3)RR')(2)(O (C) over bar(O)O-O,O')](-) (3: R = H, R' = SiMe(3); 3': R = R' = SiMe(3)) which are oxidized electrochemically to the corresponding paramagnetic niobium(IV) complex [Nb(eta(5)-C(5)H(3)RR')(2)(OC(O)O-O,O')] (5: R = H, R' = SiMe(3); 5': R = R' = SiMe(3)). These paramagnetic derivatives have been characterized by ESR and IR spectroscopy. Mechanistic aspects concerning the formation of 3 and 3' are discussed. 3 can also be obtained from two-electron reduction of Nb(eta(5)-C(5)H(4)SiMe(3))(2)(O)Cl, 4, in the presence of carbon dioxide. The addition of the formate anion HCO2- to 3 gives the formato complex Nb(eta(5)-C(5)H(4)SiMe(3))(2)(OC(O)H-O,O') 6.

  DOI：

  10.1016/s0022-328x(96)06507-2
• 作为产物：
  描述：

  dichlorobis{η-(trimethylsilyl)cyclopentadienyl}niobium(IV) 、 sodium carbonate 以 四氢呋喃 为溶剂， 生成 Nb(η(5)-C5H4(SiMe3))2(O2C(O)-O,O')(1-)
  参考文献：
  名称：

  Electrochemical synthesis and reactivity of carbonato-niobocene complexes

  摘要：

  The addition of the CO32- dianion to the electrogenerated species Nb(eta(5)-C(5)H(5)RR')(2)Cl (2: R = H, R' = SiMe(3); 2': R = R' = SiMe(3)) gives in ca. 50% yields the anionic carbonate niobium(III) complex [Nb(eta(5)-C(5)H(3)RR')(2)(O (C) over bar(O)O-O,O')](-) (3: R = H, R' = SiMe(3); 3': R = R' = SiMe(3)) which are oxidized electrochemically to the corresponding paramagnetic niobium(IV) complex [Nb(eta(5)-C(5)H(3)RR')(2)(OC(O)O-O,O')] (5: R = H, R' = SiMe(3); 5': R = R' = SiMe(3)). These paramagnetic derivatives have been characterized by ESR and IR spectroscopy. Mechanistic aspects concerning the formation of 3 and 3' are discussed. 3 can also be obtained from two-electron reduction of Nb(eta(5)-C(5)H(4)SiMe(3))(2)(O)Cl, 4, in the presence of carbon dioxide. The addition of the formate anion HCO2- to 3 gives the formato complex Nb(eta(5)-C(5)H(4)SiMe(3))(2)(OC(O)H-O,O') 6.

  DOI：

  10.1016/s0022-328x(96)06507-2