[(methylcyclopentadienyl)Zr(η2-(i-PrN)2CNMe2)2Cl] | 1130886-72-4

• 英文名称: [(methylcyclopentadienyl)Zr(η2-(i-PrN)2CNMe2)2Cl]
• CAS: 1130886-72-4
• 化学式: C₂₄H₄₇ClN₆Zr
• 分子量: 546.354
• InChiKey: VZMFMEIQVZOOFL-UHFFFAOYSA-M

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：

  [(methylcyclopentadienyl)Zr(η2-(i-PrN)2CNMe2)2Cl] 以 neat (no solvent, gas phase) 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of Zirconium Guanidinate Complexes and the Formation of Zirconium Carbonitride via Low Pressure CVD

  摘要：

  Thin films of zirconium carbonitride have been deposited on glass at 600 degrees C from two novel guanidinate precursors: [ZrCp'{eta(2)-((PrN)-Pr-i)(2)CNMe2}(2)Cl] and [ZrCp'(2){eta(2)-((PrN)-Pr-i)(2)CNMe2}Cl] (2) (Cp' = monomethylcyclopentadienyl). Both compounds 1 and 2 were structurally characterized by X-ray crystallography. The films grown via low pressure chemical vapor deposition (LPCVD) from compound 1 were mirror-like with a red-brown sheen whereas those from 2 were gray. Chlorine was present in the films although the levels were no higher than 3 at.%. These two compounds clearly show how the coordination environment around the metal center affects the composition of the film, as films from 1 were nitrogen rich and those from 2 were carbon rich. The films were uniform, adhesive, abrasion resistant, conformal, and hard, being resistant to scratching with steel and brass scalpels.

  DOI：

  10.1021/om801053y
• 作为产物：
  描述：

  [(methylcyclopentadienyl)Na(THF)] 、 [(η2-(i-PrN)2C(NMe2))2ZrCl2] 以 四氢呋喃 、 乙醚 为溶剂， 以60%的产率得到[(methylcyclopentadienyl)Zr(η2-(i-PrN)2CNMe2)2Cl]
  参考文献：
  名称：

  Synthesis of Zirconium Guanidinate Complexes and the Formation of Zirconium Carbonitride via Low Pressure CVD

  摘要：

  Thin films of zirconium carbonitride have been deposited on glass at 600 degrees C from two novel guanidinate precursors: [ZrCp'{eta(2)-((PrN)-Pr-i)(2)CNMe2}(2)Cl] and [ZrCp'(2){eta(2)-((PrN)-Pr-i)(2)CNMe2}Cl] (2) (Cp' = monomethylcyclopentadienyl). Both compounds 1 and 2 were structurally characterized by X-ray crystallography. The films grown via low pressure chemical vapor deposition (LPCVD) from compound 1 were mirror-like with a red-brown sheen whereas those from 2 were gray. Chlorine was present in the films although the levels were no higher than 3 at.%. These two compounds clearly show how the coordination environment around the metal center affects the composition of the film, as films from 1 were nitrogen rich and those from 2 were carbon rich. The films were uniform, adhesive, abrasion resistant, conformal, and hard, being resistant to scratching with steel and brass scalpels.

  DOI：

  10.1021/om801053y