(cyclopentadienyl)(η(8)-2,4,7,9-tetramethyl-1,3,7,9-decatetraene)niobium | 118378-17-9

• 英文名称: (cyclopentadienyl)(η(8)-2,4,7,9-tetramethyl-1,3,7,9-decatetraene)niobium
• CAS: 118378-17-9
• 化学式: C₁₉H₂₇Nb
• 分子量: 348.33
• InChiKey: MYFSTOGENMWLAQ-BJBFFQGBSA-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：

  potassium 2,4-dimethylpentadienide - tetrahydrofuran 、 cyclopenta-1,3-diene;niobium(5+);oxolane;tetrachloride 以 四氢呋喃 为溶剂， 以60%的产率得到(cyclopentadienyl)(η(8)-2,4,7,9-tetramethyl-1,3,7,9-decatetraene)niobium
  参考文献：
  名称：

  Reactions of M(C5H4R)Cl4 Complexes (R = H, CH3) with Pentadienyl Anions: Pathway Variations for Niobium vs. Tantalum

  摘要：

  The reactions of Nb(C5H5)Cl-4 or Nb(CH3C5H4)Cl-4 compounds with 4 equiv of various pentadienyl anions lead initially to Nb(RC(5)H(4))(eta(5)-Pdl)(eta(3)-Pdl) complexes, for Pdl = C5H7 or 2,4-C7H11 (C7H11 = dimethylpentadienyl). For the 2,4-C7H11 complexes, subsequent intramolecular coupling between the two Pdl ligands occurs on standing at room temperature, leading to Nb(RC(5)H(4))(eta(8)-2,4,7,9-tetramethyl-1,3,7,9-decatetraene) complexes. These contain one eta(4)-cis-diene and one eta(4)-trans-diene coordinated to the metal center. This has been confirmed crystallographically for the R = H complex, which crystallizes in the orthorhombic space group Pcc2 with a = 14.061(3) Angstrom, b = 14.273(3) Angstrom, c = 8.045(1) Angstrom, and Z = 4. For related tantalum reactions, a different course is followed, leading to isolation of Ta(C5H5)(2-)(eta(3)-Pdl) complexes (Pdl = 2,3-C7H11; 2,4-C7H11; 1,5-(Me(3)Si)(2)C5H5), apparently via disproportionation. A structural study on the 2,3-C7H11 complex revealed that its mode of coordination involved localized Ta-C and Ta-olefinic interactions, through the 1, 4, and 5 positions of the open dienyl ligand. The compound crystallizes in the monoclinic space group P2(1)/e with a = 7.887(2) Angstrom, b = 14.433(3) Angstrom, c = 12.645(3) Angstrom, and beta = 97.93(2)degrees for Z = 4. However, for the 1,5-(Me(3)Si)(2)C5H5 complex, the more usual allylic mode of coordination is observed. This compound crystallizes in the monoclinic space group P2(1)/n, with a = 7.422(1) Angstrom, b = 23.934(5)Angstrom, c = 13.059(2) Angstrom, and beta = 97.52(1)degrees for Z = 4.

  DOI：

  10.1021/om00004a032