Zr3(μ3-O)(μ3-ONep)(μ-ONep)3(ONep)6 | 867258-18-2

• 英文名称: Zr3(μ3-O)(μ3-ONep)(μ-ONep)3(ONep)6
• CAS: 867258-18-2
• 化学式: C₅₀H₁₁₀O₁₁Zr₃
• 分子量: 1161.09
• InChiKey: JPCRCPWBHYHWRQ-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：

  Zr3(μ3-O)(μ3-ONep)(μ-ONep)3(ONep)6 、 溶剂黄146 以 甲苯 为溶剂， 以64.7%的产率得到Zr3(μ3-O)(μ-OAc)3(μ-ONep)2(ONep)5
  参考文献：
  名称：

  Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films

  摘要：

  A series of carboxylic acid (H-ORc) modified zirconium alkoxides (Zr(OR)(4)) were synthesized through the- reaction of the commercially available [Zr(mu-OPri)(OPri)(3)(H-OPri)](2) (1, OPri = OCH(CH3)(2)) with a series of sterically varied H-ORc, including: formic acid (H-O2CH or H-OFc), acetic acid (H-O2CCH3 or H-OAc), isobutyric acid (H-O2CCH(CH3)(2) or H-OPc), trimethyl acetic acid (H-O2C(CH3)(3) or H-013c), and t-butyl acetic acid (H-O2CCH2C(CH3)(3) or H-ONc) which yielded the following products: Zr-4(mu(4)-O)(mu-O)( mu-OFc)(2)(mu-OPri)(4)(OPri)(6) (2), Zr-3(mu(3)-O)(mu-OAc)(3)(OAC)(2)(mu-OPri)(2)(OPri)(3) (3), [Zr-2(mu-OPc)(2)(mu-OPri)(2)(OPri)(4)](2) (4), Zr-2(mu-OBc)-(mu-OPri)(2)(OPri)(5)(H-OPri) -(H-OPri) (5), Zr-2(mu-ONc)(ONc)(mu-OPri)(2)(OPri)(4)(H-OPri) (6).To increase the structural variability of these precursors, we also investigated the H-ORc modifications of the novel Zr-3(mu(3)-O)(mu(3)-ONep)(mu-ONep)(3)(ONep)(6) (7) which was isolated from the reaction between Zr(NMe2)(4) and 4 H-OCH2(CH3)(3) (H-ONep). The ORc-modified 7 species were isolated as: Zr-3(mu(3)-O)(mu-OAc)(3)(mu-ONep)(2)(ONep)(5) (8), Zr-5(mu-O)(3)(mu-OPc)(6)(mu-ONep)(2)(ONep)(6) (9), [Zr(mu-OPc)(mu-ONep)(ONeP)(2)](2) (10), Zr-5(mu-O)(3)(mu-ONc)(6)(mu-ONep)(2)(ONep)(6) -(H-ONep)-1/2(C7H8) (11). Once fully characterized, these compounds were used to generate thin films of ZrO2 to investigate the optimal structural aspects that dictate thin film density. It was determined that the majority of these compounds did not yield high quality films; however, the non-condensed species (3-5) did produce clear and continuous ZrO2 films. From this very limited set of useful precursors, the larger nuclearity species (3) led to films of higher densification. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.05.005
• 作为产物：
  描述：

  四(二甲氨基)锆 、 新戊醇 以 甲苯 为溶剂， 以63.8%的产率得到Zr3(μ3-O)(μ3-ONep)(μ-ONep)3(ONep)6
  参考文献：
  名称：

  Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films

  摘要：

  A series of carboxylic acid (H-ORc) modified zirconium alkoxides (Zr(OR)(4)) were synthesized through the- reaction of the commercially available [Zr(mu-OPri)(OPri)(3)(H-OPri)](2) (1, OPri = OCH(CH3)(2)) with a series of sterically varied H-ORc, including: formic acid (H-O2CH or H-OFc), acetic acid (H-O2CCH3 or H-OAc), isobutyric acid (H-O2CCH(CH3)(2) or H-OPc), trimethyl acetic acid (H-O2C(CH3)(3) or H-013c), and t-butyl acetic acid (H-O2CCH2C(CH3)(3) or H-ONc) which yielded the following products: Zr-4(mu(4)-O)(mu-O)( mu-OFc)(2)(mu-OPri)(4)(OPri)(6) (2), Zr-3(mu(3)-O)(mu-OAc)(3)(OAC)(2)(mu-OPri)(2)(OPri)(3) (3), [Zr-2(mu-OPc)(2)(mu-OPri)(2)(OPri)(4)](2) (4), Zr-2(mu-OBc)-(mu-OPri)(2)(OPri)(5)(H-OPri) -(H-OPri) (5), Zr-2(mu-ONc)(ONc)(mu-OPri)(2)(OPri)(4)(H-OPri) (6).To increase the structural variability of these precursors, we also investigated the H-ORc modifications of the novel Zr-3(mu(3)-O)(mu(3)-ONep)(mu-ONep)(3)(ONep)(6) (7) which was isolated from the reaction between Zr(NMe2)(4) and 4 H-OCH2(CH3)(3) (H-ONep). The ORc-modified 7 species were isolated as: Zr-3(mu(3)-O)(mu-OAc)(3)(mu-ONep)(2)(ONep)(5) (8), Zr-5(mu-O)(3)(mu-OPc)(6)(mu-ONep)(2)(ONep)(6) (9), [Zr(mu-OPc)(mu-ONep)(ONeP)(2)](2) (10), Zr-5(mu-O)(3)(mu-ONc)(6)(mu-ONep)(2)(ONep)(6) -(H-ONep)-1/2(C7H8) (11). Once fully characterized, these compounds were used to generate thin films of ZrO2 to investigate the optimal structural aspects that dictate thin film density. It was determined that the majority of these compounds did not yield high quality films; however, the non-condensed species (3-5) did produce clear and continuous ZrO2 films. From this very limited set of useful precursors, the larger nuclearity species (3) led to films of higher densification. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.05.005