[Nb(η-C5H4SiMe3)2(NPr(i))Cl] | 164664-40-8

• 英文名称: [Nb(η-C5H4SiMe3)2(NPr(i))Cl]
• CAS: 164664-40-8
• 化学式: C₁₉H₃₃ClNNbSi₂
• 分子量: 460.008
• InChiKey: CHQVSMCRPQOAFX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  [Nb(η-C5H4SiMe3)2(Pr(i)NCO)Cl] 以 甲苯 为溶剂， 生成 [Nb(η-C5H4SiMe3)2(NPr(i))Cl]
  参考文献：
  名称：

  Synthesis and structural characterisation of new isocyanate and imido niobocene complexes. Crystal structures of [{Nb(η-C₅H₄SiMe₃)₂Cl}₂] and [Nb(η-C₅H₄SiMe₃)₂(=NPh)Cl]

  摘要：

  The isocyanate complexes [Nb(eta-C(5)H(4)SiMe(3))(2)(RNCO)Cl] (R = Ph 2, Bu(t) 3, Pr-n 4, Pr-i 5) have been prepared from the reaction of [Nb(eta-C(5)H(4)SiMe(3))(2)Cl] 1 with the appropriate ligands. Treatment of 1 with the corresponding amines NH(2)R afforded the imido complexes [Nb(eta-C(5)H(4)SiMe(3))(2)(=N R)Cl] (R = Ph 6. Bu(t) 7, Pr-n 8 or Pr-i 9) which can also be prepared by thermal treatment of the corresponding isocyanate complexes 2-5. All complexes have been characterised in solution by both H-1 and C-13 NMR spectroscopy. Complex 1 crystallises in the monoclinic space group P2(1)/c showing two crystallographic independent molecules with Z = 8, a = 12.968(4), b = 23.988(7), c = 25.546(7) Angstrom A and beta = 103.22(3)degrees. It has a binuclear structure with two almost symmetrical chloride bridges, giving a closed-shell, 18-electron configuration. Complex 6 crystallises in the monoclinic space group P2(1)/ln with Z = 4, a = 7.343(2), b = 16.880(3), c = 20.227(4) Angstrom A and beta = 96.41(2)degrees. The structure shows a value of 165.1(2)degrees for the Nb-N-C angle and an Nb-N bond distance of 1.792(2) Angstrom A. intermediate between that expected for double and triple bonds.

  DOI：

  10.1039/dt9950001007