[Ze(NEt2)2I(μ-I)]2 | 452334-33-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [Ze(NEt2)2I(μ-I)]2
• 英文别名: diethylazanide;zirconium(4+);tetraiodide
• CAS: 452334-33-7
• 化学式: C₁₆H₄₀I₄N₄Zr₂
• 分子量: 978.586
• InChiKey: OEGOMOHZFFNWAA-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  -6.39
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  4
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  碘化锆(IV) 、 Zr(NEt2)4 以 甲苯 为溶剂， 以86%的产率得到[Ze(NEt2)2I(μ-I)]2
  参考文献：
  名称：

  Synthesis and Structures of Zirconium Amide−Iodide Complexes

  摘要：

  Zirconium amide-iodide complexes were synthesized for possible use as chemical vapor deposition precursors to zirconium nitride films. The series of six complexes Zr(NR2)(4)-I-n(n), (R = Me or Et; n = 1-3) was prepared by reacting Zrl(4) and Zr(NR2)(4) in hot toluene. X-ray crystallographic analyses were performed for Zr(NMe2)(3)I, Zr(NEt2)(2)I-2, and Zr(NEt2)I-3. In the solid state, Zr(NMe2)(3)I and Zr(NEt2)(2)I-2 are the discrete dimers [Zr(NMe2)(2)I(mu-NMe2)](2) and [Zr(NEt2)(2)I(mu-I)](2), and Zr(NEt2)I-3 is the polymer of dimers {[Zr(NEt2)I-2(mu-I)](2)}(n). In solution, Zr(NEt2)(3)I is proposed to be monomeric on the basis of NMR data and a molecular weight determination. The complex Zr(NEt2)(3)I is the most promising precursor candidate because of its physical properties.

  DOI：

  10.1021/ic025630b