| 207923-24-8

• CAS: 207923-24-8
• 化学式: C₄₀H₁₁₀Nb₂O₁₀Si₁₀
• 分子量: 1217.98
• InChiKey: SXSOIZRLYAOPKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  lithium (trimethylsilyl)methanolate 、 以 苯 为溶剂， 以44%的产率得到
  参考文献：
  名称：

  Preparation of volatile molecular lithium-niobium alkoxides. Crystal structures of [Nb(μ-OCH2SiMe3)(OCH2SiMe3)4]2 and [LiNb(μ3-OCH2SiMe3)-(μ2-OCH2SiMe3)2(OCH2SiMe3]2

  摘要：

  New heterometallic alkoxides [LiNb(OCH2CMe3)(6)](2) (4), LiNb(OCH2CMe3)(6)(Me3CCH2OH)(2) (5), and [LiNb(OCH2SiMe3)(6)](2), (6) have been prepared from the corresponding homometallic alkoxides. All are moderately soluble in hydrocarbons and sublime in moderate to good recoveries. The structure of 6 determined crystallographically contains an Nb2Li2(mu-O)(4)(mu(3)-O)(2) central-core geometry. Compound 4 appears to be isostructural on the basis of H-1 NMR data. Bulk pyrolysis of 4 gives crystalline LiNbO3 under N-2 at 600 degrees C. However, LiNbO3 films are not obtained from 4 by spray MOCVD under conditions that give LiNbO3 films from [LiNb(OEt)(6)](infinity). Crystallographic structure determination for the precursor compound [Nb(mu-OCH2SiMe3) (OCH2SiMe3)(4)](2) (3) reveals an edge-shared bioctahedral geometry in which the mu-O atoms are distinctly pyramidal. This structure is maintained in solution; the pyramidal bridge configurations allow coexistence of syn and anti dimeric isomers. Precursor 3 also exhibits a dimer-monomer equilibrium for which Delta H = 63(3) kJ/mol and Delta S = 180(10) J/(K mol). (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(97)00311-2
• 作为产物：
  描述：

  三甲基硅基甲醇 、 异丙醇铌 以 苯 为溶剂， 以75%的产率得到
  参考文献：
  名称：

  Preparation of volatile molecular lithium-niobium alkoxides. Crystal structures of [Nb(μ-OCH2SiMe3)(OCH2SiMe3)4]2 and [LiNb(μ3-OCH2SiMe3)-(μ2-OCH2SiMe3)2(OCH2SiMe3]2

  摘要：

  New heterometallic alkoxides [LiNb(OCH2CMe3)(6)](2) (4), LiNb(OCH2CMe3)(6)(Me3CCH2OH)(2) (5), and [LiNb(OCH2SiMe3)(6)](2), (6) have been prepared from the corresponding homometallic alkoxides. All are moderately soluble in hydrocarbons and sublime in moderate to good recoveries. The structure of 6 determined crystallographically contains an Nb2Li2(mu-O)(4)(mu(3)-O)(2) central-core geometry. Compound 4 appears to be isostructural on the basis of H-1 NMR data. Bulk pyrolysis of 4 gives crystalline LiNbO3 under N-2 at 600 degrees C. However, LiNbO3 films are not obtained from 4 by spray MOCVD under conditions that give LiNbO3 films from [LiNb(OEt)(6)](infinity). Crystallographic structure determination for the precursor compound [Nb(mu-OCH2SiMe3) (OCH2SiMe3)(4)](2) (3) reveals an edge-shared bioctahedral geometry in which the mu-O atoms are distinctly pyramidal. This structure is maintained in solution; the pyramidal bridge configurations allow coexistence of syn and anti dimeric isomers. Precursor 3 also exhibits a dimer-monomer equilibrium for which Delta H = 63(3) kJ/mol and Delta S = 180(10) J/(K mol). (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(97)00311-2