[Ni(biqu)Br₂] | 14950-13-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Ni(biqu)Br₂]
• 英文别名: (2,2'-biquinoline)NiBr2；dibromo(2,2'-biquinoline)nickel(II)；Dibromonickel;2-quinolin-2-ylquinoline
• CAS: 14950-13-1
• 化学式: C₁₈H₁₂Br₂N₂Ni
• 分子量: 474.805
• InChiKey: TWUCKCGAOIASHW-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  6.14
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,2'-联喹啉 、 nickel dibromide 以 乙醇 为溶剂， 反应 16.0h， 生成 [Ni(biqu)Br₂]
  参考文献：
  名称：

  Ni（II）与（伪）卤化物配体的四面体和正方形平面几何形状对磁性能的影响

  摘要：

  摘要制备了四种四配位Ni（II）配合物，对其结构进行了表征，并对其进行了磁学研究。络合物[Ni（PPh 3）2（NCS）2]，[Ni（dppp）（NCS）2]和[Ni（dppm）Br 2]是平面的，因此是抗磁性的。配合物[Ni（biqu）Br 2]为准四面体，几何形状接近C 2v对称，且为顺磁性。一方面，它类似于扁长的双蝶形（角度N-Ni-N = 83度），另一方面，它模仿了扁平的双蝶形（Br-Ni-Br = 126度）。它显示了将基项3 A 2零场分裂为三个晶体场多重峰，可以用自旋哈密顿形式中的D和E参数来描述。从头算起的计算证实了这一解释。然而，

  DOI：

  10.1016/j.ica.2018.08.029

文献信息

• Four-coordinated bipyridine complexes of nickel for ethene polymerization—the role of ligand structure
  作者：Toni-J.J Kinnunen、Matti Haukka、Tuula T Pakkanen、Tapani A Pakkanen

  DOI：10.1016/s0022-328x(00)00618-5

  日期：2000.11

  Four-co ordinated bipyridine complexes of nickel, (2,2'-bipyridine)NiBr2 (1), (6,6'-dimethoxycarbonyl-2,2'-bipyridine)NiBr2 (2), (2,2'-biquinoline)NiBr2 (3) and (2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline)NiBr2 (4), were synthesized. Single crystal X-ray structures were determined for compounds 2 and 4. Both structures were monoclinic with space group P21/c. For 2 a = 8.4289(7), b = 13.5013(14), c = 14.7341(15) Angstrom, Z = 4. For complex 4 a = 12.8143(4), b = 22.5687(8), c = 7.8172(2) Angstrom, Z = 4, respectively. Catalytic activities of complexes were studied in ethene polymerization using MAO as a cocatalyst. Complexes 2 and 3 showed a modest activity producing high-density polyethene. Polymerization temperature had a clear effect on the activities of the complexes. Reactions carried at 50 degreesC yielded more polyethene than reactions at 30 or 70 degrees. The effect of ligand structure on catalytic activity was also observed, the bulky substituents increased activity. (C) 2000 Published by Elsevier Science B.V. All rights reserved.
• Impact of tetrahedral and square planar geometry of Ni(II) complexes with (pseudo)halide ligands to magnetic properties
  作者：Dominik Lomjanský、Cyril Rajnák、Ján Titiš、Ján Moncoľ、Lukáš Smolko、Roman Boča

  DOI：10.1016/j.ica.2018.08.029

  日期：2018.11

  Abstract Four tetracoordinate Ni(II) complexes have been prepared, structurally characterized, and subjected to magnetometric studies. The complexes [Ni(PPh 3 ) 2 (NCS) 2 ], [Ni( dppp )(NCS) 2 ], and [Ni( dppm )Br 2 ] are planar and thus diamagnetic. The complex [Ni( biqu )Br 2 ] is quasi-tetrahedral, with the geometry close to C 2v symmetry, and paramagnetic. While on one side it resembles a prolate

  摘要制备了四种四配位Ni（II）配合物，对其结构进行了表征，并对其进行了磁学研究。络合物[Ni（PPh 3）2（NCS）2]，[Ni（dppp）（NCS）2]和[Ni（dppm）Br 2]是平面的，因此是抗磁性的。配合物[Ni（biqu）Br 2]为准四面体，几何形状接近C 2v对称，且为顺磁性。一方面，它类似于扁长的双蝶形（角度N-Ni-N = 83度），另一方面，它模仿了扁平的双蝶形（Br-Ni-Br = 126度）。它显示了将基项3 A 2零场分裂为三个晶体场多重峰，可以用自旋哈密顿形式中的D和E参数来描述。从头算起的计算证实了这一解释。然而，