(η-cycloheptatrienyl)(η-methylcyclopentadienyl)niobium

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: (η-cycloheptatrienyl)(η-methylcyclopentadienyl)niobium
• 化学式: C₁₃H₁₄Nb
• 分子量: 263.161
• InChiKey: WATXLVMLAJGECC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.84
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  (η-cycloheptatrienyl)(η-methylcyclopentadienyl)niobium 在 K 、 CH₃I 作用下， 以 四氢呋喃 为溶剂， 以72%的产率得到(η-cycloheptatrienyl)(η-methylcyclopentadienyl)methylniobium
  参考文献：
  名称：

  Green, Jennifer C.; Green, Malcolm L. H.; Kaltsoyannis, Nikolas, Organometallics, 1992, vol. 11, # 10, p. 3353 - 3361

  摘要：

  DOI：
• 作为产物：
  描述：

  (η-cycloheptatrienyl)(η-methylcyclopentadienyl)methylniobium 以 neat (no solvent, solid phase) 为溶剂， 生成 (η-cycloheptatrienyl)(η-methylcyclopentadienyl)niobium
  参考文献：
  名称：

  Green, Jennifer C.; Green, Malcolm L. H.; Kaltsoyannis, Nikolas, Organometallics, 1992, vol. 11, # 10, p. 3353 - 3361

  摘要：

  DOI：

文献信息

• Synthesis and molecular structures of the sandwich anion [K(18-crown-6)][Nb(η-C₇H₇)(η-C₅H₅)] and cation [Nb(η-C₇H₇)(η-C₅H₄Me)(thf)]PF₆
  作者：Malcolm L. H. Green、Philip Mountford、Victor S. B. Mtetwa、Peter Scott、Stephen J. Simpson

  DOI：10.1039/c39920000314

  日期：——

  The 17-electron compounds Nb(η-C7H7)(η-C5H4R) undergo reversible one-electron oxidation and reduction giving the structurally characterised compounds [Nb(η-C7H7)(η-C5H4Me)(thf)]PF6 and [K(18-crown-6)][Nb(η-C7H7)(η-C5H5)] respectively; the latter has an unusual distorted chain structure.

  17电子化合物Nb(δ--C7H7)(δ--C5H4R)经过可逆的单电子氧化和还原反应，分别得到了结构上特征明显的化合物[Nb(δ-- )(δ--C5H4Me)(thf)]PF6和[K(18-crown-6)][Nb(δ-- )(δ--C5H5)]；后者具有不寻常的扭曲链结构。
• Cycloheptatri-ene and -enyl derivatives of niobium
  作者：Malcolm L. H. Green、Andrew K. Hughes、Patrick C. McGowan、Philip Mountford、Peter Scott、Stephen J. Simpson

  DOI：10.1039/dt9920001591

  日期：——

  The new compounds [Nb(eta-6-C7H8)(PMe3)2Cl2] 1, [Nb(eta-C7H7)(eta-4-C7H8)(PMe3)] 2 and [Nb(eta-C7H7)(CO)3] 4 have been prepared. The 17-electron compound 1 has been crystallographically characterised and contains mutually trans tertiary phosphine and chloro ligands. Compound 2 contains the first crystallographically characterised eta-4-cycloheptatriene ligand, the structure of which is discussed in relation to its C-13 NMR spectrum and the use of inverse-mode (H-1-observed) C-13-H-1 shift correlation NMR spectroscopy. Treatment of 1 with magnesium butadiene reagent gives [Nb(eta-C7H7)(eta-4-C4H6)(PMe3)] 3 and photolysis of 4 in the presence of cycloheptatriene gives [Nb(eta-C7H7)(eta-4-C7H8)(CO)] 5. Compound 2 is protonated readily to yield [Nb(eta-C7H7)(eta-5-C7H9)(PMe3)][PF6] 6, and reacts with iodomethane to yield paramagnetic [Nb(eta-C7H7)(PMe3)2l] 7 which is isomorphous with the analogous 16-electron compound [Zr(eta-C7H7)(PMe3)2l], but has an unusually long Nb-l bond. Compound 4 reacts with Me2PCH2CH2PMe2 (dmpe) to give the monomeric [Nb(eta-C7H7)(dmpe)(CO)] 9. The analogous compound [Nb(eta-C7H7)(PMe3)2(CO)] 10 is prepared by reaction of 4 with PMe3. The paramagnetic sandwich complexes [Nb(eta-C5H5)(eta-C7H7)] 11 and [Nb(eta-C5H4Me)(eta-C7H7)] 12 react with 1 equivalent of allyl bromide to yield the diamagnetic bent-sandwich species [Nb(eta-C5H5)(eta-C7H7)Br] 13 and [Nb(eta-C5H4Me)(eta-C7H7)Br] 14 respectively.