[NiBr2(N,N'-1,10-phenanthroline-5,6-dione)] | 1041389-88-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: [NiBr2(N,N'-1,10-phenanthroline-5,6-dione)]
• CAS: 1041389-88-1
• 化学式: C₁₂H₆Br₂N₂NiO₂
• 分子量: 428.69
• InChiKey: GGHAHUSCXUWPNO-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None

反应信息

• 作为反应物：
  描述：

  N-甲基吡咯烷酮 、 CrCl₂·THF 、 [NiBr2(N,N'-1,10-phenanthroline-5,6-dione)] 以 further solvent(s) 为溶剂， 以78%的产率得到[NiBr2(N,N'-1,10-phenanthroline-5,6-dione-O,O')CrCl2(THF)2]
  参考文献：
  名称：

  1,10-Phenanthroline-5,6-dione complexes of middle transition elements: Mono- and dinuclear derivatives

  摘要：

  The synthesis and the characterization of several mono- and dinuclear middle transition metal derivatives of 1,10-phenanthroline5,6-dione, 1, are presented. The reaction of 1 with CrCl(2)(THF)(2) gives CrCl(2)(O, O'-C(12)H(6)N(2)O(2))(THF)(2), 2, while the halides of iron(II), cobalt(II) and nickel(II) afford adducts of general formula MX(2)(N, N'-C(12)H(6)N(2)O(2)), M = Fe, 4, Co, 5, X = Cl; M = Ni, 6, X = Br. DFT calculations on CrCl(2)(L)(THF)(2) with L = O, O'-C(12)H(6)N(2)O(2) or O, O'-C(14)H(8)O(2) allowed a direct comparison of the coordination properties of 9,10-phenanthrenequinone and 1,10-phenanthroline-5,6-dione to be made. Dinuclear compounds of general formula CrCl(2)(THF)(2)(O, O'-C(12)H(6)N(2)O(2)-N, N') MX(n)L(m), M = Zr, 7, X = Cl, n = 4, m = 0; M = Cr, 8, X = Cl, n = 2, L = THF, m = 2; M = Fe, 9, Co, 10, X = Cl, n = 2, m = 0; M= Ni, 11, X = Br, n = 2, m = 0, are prepared from 2 and the corresponding metal halide, while VCp(2)(O, O'-C(12)H(6)N(2)O(2)-N, N') FeCl(2), 12, is synthesized by reacting 4 with VCp2. The electronic properties of the different complexes are investigated by magnetic moment measurements and EPR spectroscopy. (C) 2007 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.12.011
• 作为产物：
  描述：

  1,10-菲罗啉 在 硫酸 、 硝酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 [NiBr2(N,N'-1,10-phenanthroline-5,6-dione)]
  参考文献：
  名称：

  含 1,10-菲咯啉配体的镍 (II) 配合物在均相乙烯齐聚反应中的催化性能

  摘要：

  已对带有 1,10-菲咯啉 ( phen ) 基配体的镍 (II) 配合物在均相乙烯低聚过程中的催化活性进行了比较研究。发现由甲基铝氧烷（MMAO-12）活化的[NiBr 2 ( phen )] 络合物可以低聚乙烯，具有中等活性（66.2 × 10 3 mol C2H4 ∙mol Ni -1 ∙h -1）至宽范围（C 4 –C 20 ) 的偶数烯烃，对直链 α-烯烃的选择性为 43%。在 1,10-菲咯啉的 5 位和 6 位插入羰基导致催化活性提高到 81.4 × 103 mol C2H4 ∙mol Ni -1 ∙h -1。在相同位置存在羟基会导致活性降低至 15.5 × 10 3 mol C 2 H 4 ∙mol Ni - 1 ∙h​​ -1。由 2,9-二甲基-1,10-菲咯啉的 2 位和 9 位甲基引起的金属中心附近的空间位阻导致活性降低至 (26.8-52.2) × 10 3 mol

  DOI：

  10.1016/j.poly.2022.115978

文献信息

• 1,10-Phenanthroline-5,6-dione complexes of middle transition elements: Mono- and dinuclear derivatives
  作者：Euan K. Brechin、Lucia Calucci、Ulli Englert、Ludovica Margheriti、Guido Pampaloni、Calogero Pinzino、Alessandro Prescimone

  DOI：10.1016/j.ica.2007.12.011

  日期：2008.6

  The synthesis and the characterization of several mono- and dinuclear middle transition metal derivatives of 1,10-phenanthroline5,6-dione, 1, are presented. The reaction of 1 with CrCl(2)(THF)(2) gives CrCl(2)(O, O'-C(12)H(6)N(2)O(2))(THF)(2), 2, while the halides of iron(II), cobalt(II) and nickel(II) afford adducts of general formula MX(2)(N, N'-C(12)H(6)N(2)O(2)), M = Fe, 4, Co, 5, X = Cl; M = Ni, 6, X = Br. DFT calculations on CrCl(2)(L)(THF)(2) with L = O, O'-C(12)H(6)N(2)O(2) or O, O'-C(14)H(8)O(2) allowed a direct comparison of the coordination properties of 9,10-phenanthrenequinone and 1,10-phenanthroline-5,6-dione to be made. Dinuclear compounds of general formula CrCl(2)(THF)(2)(O, O'-C(12)H(6)N(2)O(2)-N, N') MX(n)L(m), M = Zr, 7, X = Cl, n = 4, m = 0; M = Cr, 8, X = Cl, n = 2, L = THF, m = 2; M = Fe, 9, Co, 10, X = Cl, n = 2, m = 0; M= Ni, 11, X = Br, n = 2, m = 0, are prepared from 2 and the corresponding metal halide, while VCp(2)(O, O'-C(12)H(6)N(2)O(2)-N, N') FeCl(2), 12, is synthesized by reacting 4 with VCp2. The electronic properties of the different complexes are investigated by magnetic moment measurements and EPR spectroscopy. (C) 2007 Elsevier B. V. All rights reserved.
• Catalytic performance of nickel(II) complexes bearing 1,10-phenanthroline based ligands in homogeneous ethylene oligomerization
  作者：Giyjaz E. Bekmukhamedov、Aleksandr V. Sukhov、Aidar M. Kuchkaev、Airat M. Kuchkaev、Khasan R. Khayarov、Alexey B. Dobrynin、Vasily M. Babaev、Dmitry G. Yakhvarov

  DOI：10.1016/j.poly.2022.115978

  日期：2022.9

  A comparative study of catalytic activity of nickel(II) complexes bearing 1,10-phenanthroline (phen) based ligands in homogeneous ethylene oligomerization process has been performed. It was found that activated by methylaluminoxane (MMAO-12), [NiBr2(phen)] complex oligomerizes ethylene with the moderate activity (66.2 × 103 molC2H4∙molNi−1∙h−1) to the wide range (C4–C20) of even-numbered olefins, with

  已对带有 1,10-菲咯啉 ( phen ) 基配体的镍 (II) 配合物在均相乙烯低聚过程中的催化活性进行了比较研究。发现由甲基铝氧烷（MMAO-12）活化的[NiBr 2 ( phen )] 络合物可以低聚乙烯，具有中等活性（66.2 × 10 3 mol C2H4 ∙mol Ni -1 ∙h -1）至宽范围（C 4 –C 20 ) 的偶数烯烃，对直链 α-烯烃的选择性为 43%。在 1,10-菲咯啉的 5 位和 6 位插入羰基导致催化活性提高到 81.4 × 103 mol C2H4 ∙mol Ni -1 ∙h -1。在相同位置存在羟基会导致活性降低至 15.5 × 10 3 mol C 2 H 4 ∙mol Ni - 1 ∙h​​ -1。由 2,9-二甲基-1,10-菲咯啉的 2 位和 9 位甲基引起的金属中心附近的空间位阻导致活性降低至 (26.8-52.2) × 10 3 mol