[(η5-C5H4SiMe3)2Nb(2,6-dimethylphenylisocyanido)2][HB(C6F5)3] | 315245-76-2

• 英文名称: [(η5-C5H4SiMe3)2Nb(2,6-dimethylphenylisocyanido)2][HB(C6F5)3]
• CAS: 315245-76-2
• 化学式: C₁₈HBF₁₅*C₃₄H₄₄N₂NbSi₂
• 分子量: 1142.81
• InChiKey: ADUWCTIRDNGGBT-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：

  [(η5-C5H4SiMe3)2(2,6-dimethylphenylisocyanido)Nb(μ-H)B(C6F5)3] 、 2,6-二甲基苯基异腈 以 甲苯 为溶剂， 以68%的产率得到[(η5-C5H4SiMe3)2Nb(2,6-dimethylphenylisocyanido)2][HB(C6F5)3]
  参考文献：
  名称：

  Studies on the reactivity of Nb(η5-C5H4SiMe3)2(X)(L), X=H,Cl; L=CNXylyl, CNCy, CO and Nb(η5-C5H4SiMe3)2(H)3 complexes toward the Lewis acids B(C6F5)3 and BF3

  摘要：

  The reaction of the electron-rich, coordinatively saturated, :niobocene-hydride or -halide complexes Nb(eta(5)-C5H4SiMe3)(2)(X)(L), X = H or Cl, L = 2,6-dimethylphenylisocyanide (CNXylyl), cyclohexylisocyanide (CNCy) and carbonyl (CO), with the strong Lewis acid (B(C6F5)(3)) gives the zwitterionic compounds [(eta(5)-C5H4SiMe3)(2)(CNXylyl)Nb(mu-X)(B(C6F5)(3)] (1), [(eta(5)-C5H4SiMe3)(2)(CNCy)Nb(mu-X)(B(C6F5)(3)] (2), [(eta(5)-C5H4SiMe3)(2)(CO)Nb(mu-X) (B(C6F5)(3))] (3), respectively, where the complexes possess a bridging hydride or halide group. Similarly, the starting niobocene-hydride species react with BF3 to afford the corresponding zwitterionic complexes containing a bridging hydride ligand, namely [eta(5)-C5H4SiMe3)(2)(CNXylyl)Nb(mu-H)(BF3)] (4), [(eta(5)-C5H4SiMe3)(2)(CNCy)Nb(mu-H)(BF3)] (5), [(eta(5)-C5H4SiMe3)(2)(CO)Nb(mu-H)(BF3)] (6). The reaction of the hydride containing compounds 1-3 with the appropriate ligand L (1:1 molar ratio for 1 and 2) in toluene at room temperature leads to the ionic compounds [(eta(5)-C5H4SiMe3)(2)Nb(CNXylyl)(2)][(HB(C6F5)(3))] (7), [(eta(5)-C5H4SiMe3)(2)Nb(CNCy)(2)][(HB(C6F5)(3))] (8), and [(eta(5)-C5H4SiMe3)(2)Nb(CO)(2)][(HB(C6F5)(3))] (9), which contain two coordinated L ligands and a noncoordinated [(HB(C6F5)(3))](-) counteranion. Analogous complexes were not observed in the same reaction for 4-6. Finally, the compound [Nb(eta(5)-C5H4SiMe3)(2)(H)(3)] reacts in acetone with (B(C6F5)(3)) in a clean reaction to give the ionic compound [(eta(5)-C5H4SiMe3)(2)Nb][((CH3)(2)CHO)B(C6F5)(3))] (10), which contains the isopropoxide berate ion [((CH3)(2)CHO)B(C6F5)(3))](-) as the counteranion. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(00)00107-8