[Zr(η5-C5H5){(C6F5)3B-NC-amidine}Cl2] | 1616095-14-7

• 英文名称: [Zr(η5-C5H5){(C6F5)3B-NC-amidine}Cl2]
• 英文别名: [Zr(η⁵-C₅H₅){(C₆F₅)₃B-NC-amidine}Cl₂]
• CAS: 1616095-14-7
• 化学式: C₄₄H₂₉BCl₂F₁₅N₃Zr
• 分子量: 1057.65
• InChiKey: FNLMWVADOKYDFM-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  [Zr(η⁵-C₅H₅){NC-amidine}Cl₂] 、 三(五氟苯基)硼烷 以 甲苯 为溶剂， 反应 1.0h， 以95%的产率得到[Zr(η5-C5H5){(C6F5)3B-NC-amidine}Cl2]
  参考文献：
  名称：

  Grafting of the zirconium complexes [Zr(η5-C5H5){NC-amidine}Cl2] and [Zr(η5-C5H5)(NC-NacNac)Cl2] and the study of their behavior in ethylene polymerization

  摘要：

  The synthesis of the new zirconium complex [Zr(eta(5)-C5H5){NC-amidine}Cl-2] (1) has been achieved by reaction of the amidine (E)-N-(4-cyanophenyI)-N'-(2,6-diisopropylphenyl)acetimidamide with [Zr(eta(5)-C5H3)Cl-3] and the new complex has been characterized by spectroscopic methods. The reaction of one equivalent of B(C6F5)(3) with compound 1 produces the adduct [Zr(eta(5)-C5H5){(C6F3)B-NC-amidine}]Cl-2 (2). Complexes 1 and 2 have been tested as homogeneous catalysts in olefin polymerization using MAO as cocatalyst.The grafting of 1 and the previously reported complex [Zr(eta(5)-C5H5)(NC-NacNac)Cl-2] (3) on to several inorganic solid supports, namely dehydroxylated silica (SiO2(TEMP)) (S-1), dehydroxylated silica modified with O(SiMe3)(2) (S-2) or MAO (S-3), and MgCl2 (S-4) has been carried out by addition of a freshly prepared solution of 1 or 3 to the corresponding inorganic solid. FT-IR studies of the new materials showed that the links between complexes 1 or 3 and S-1 and S-2 occur through the zirconium center, whereas with S-3 and S-4 the links involve the CN functional group of the ligand. These new materials have been studied as catalysts in olefin polymerization reactions in the presence of MAO. A UV-vis study was carried out in order to identify the minimum amount of MAO necessary to produce the active species. A preliminary study into the activity in olefin polymerizations was also carried out. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2014.04.017