(zirconium(IV))(η5-monomethylcyclopentadienyl)2(NEt2)2 | 1226452-07-8

• 分子结构分类: 有机化合物 - 碳氢化合物 - 芳香烃
• 英文名称: (zirconium(IV))(η5-monomethylcyclopentadienyl)2(NEt2)2
• 英文别名: diethylazanide;5-methylcyclopenta-1,3-diene;zirconium(4+)
• CAS: 1226452-07-8
• 化学式: C₂₀H₃₄N₂Zr
• 分子量: 393.727
• InChiKey: YYDIMODLYLVQEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.23
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  [(methylcyclopentadienyl)Na(THF)] 、 bis(diethylamido)-dichloridozirconium(lV)-bis(tetrahydrofurane) 以 tetrahydrofuran 为溶剂， 以69%的产率得到(zirconium(IV))(η5-monomethylcyclopentadienyl)2(NEt2)2
  参考文献：
  名称：

  Bis(cyclopentadienyl) zirconium(IV) amides as possible precursors for low pressure CVD and plasma-enhanced ALD

  摘要：

  Low pressure chemical vapour deposition (LPCVD) of [ZrCp2(NMe2)(2)] (1), [ZrCp2(eta(2)-MeNCH2CH2NMe)] (2), [ZrCp2'(NMe2)(2)] (3) and [ZrCp2'(NEt2)(2)] (4) (Cp = eta(5)-cyclopentadienyl, Cp' = eta(5)-monomethylcyclopentadienyl), onto glass substrates at 600 degrees C, afforded highly reflective and adhesive films of zirconium carbide and amorphous carbon. Powder XRD indicated that the films were largely amorphous, although small, broad peaks accounting for ZrC and ZrO2 were present, suggesting that the remaining carbon was due to amorphous deposits from the cyclopentadienyl ligands. SEM images showed an island-growth mechanism with distinct crevices between the concentric nodules. Plasma-enhanced atomic layer deposition (PEALD) of compounds 1 and 2 showed that the precursors were not sufficiently stable or volatile to give a good rate of film growth. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.07.004