Ni(η5-C5H5)(PPh3)(SC6H4NC(H)C6H4C6H5) | 365416-95-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Ni(η5-C5H5)(PPh3)(SC6H4NC(H)C6H4C6H5)
• 英文别名: cyclopenta-1,3-diene;nickel(2+);4-[(4-phenylphenyl)methylideneamino]benzenethiolate;triphenylphosphane
• CAS: 365416-95-1
• 化学式: C₄₂H₃₄NNiPS
• 分子量: 674.468
• InChiKey: XVYKCWRUUXNZPV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  9.86
• 重原子数：
  46
• 可旋转键数：
  7
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  13.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  NiBr(η(5)-cyclopentadienyl)(triphenylphosphine-P) 、 4-[(4-Phenylphenyl)methylideneamino]benzenethiol 在 (C₂H₅)3N 作用下， 以 甲苯 为溶剂， 以64%的产率得到Ni(η5-C5H5)(PPh3)(SC6H4NC(H)C6H4C6H5)
  参考文献：
  名称：

  Synthesis and thermal behaviour of cyclopentadienylnickel(II) thiolato Schiff base complexes. Molecular structures of Ni(η5-C5H5)(PBu3)(SC6H4NC(H)C6H4C6H5) and Ni(η5-C5H5)(PBu3)(SC6H4NC(H)C6H4OC4H9)

  摘要：

  The new complexes Ni(eta (5)-C5H5)(PR3) (SC6H4NC(H)C6H4OCnH2n+1), Ni(eta (5)-C5H5)(PR3)(SC6H4NC(H)C6H4C6H5) and Ni(eta (5)-C5H5)(PR3)(SC6H4NC(H)C6H4OCH2C6H5), (R = Ph or Bu; n = 4, 6, 8, 10, 14, 16 and 20), were synthesised from equimolar amounts of Ni(eta (5)-C5H5)(PR3)Br (R = Ph or Bu) and the appropriate thiol ligand and were characterised by NMR and elemental analysis. In addition la and 3a were characterised by single crystal X-ray diffraction studies. These new complexes were also examined by thermal analytical methods (DSC and TGA) and polarising hot-stage microscopy, but were not found to exhibit any liquid crystalline behaviour. Thermal analysis showed that the complexes were generally stable up to about 180 degreesC and decomposed finally to a species with empirical formula NiSC6H5. Two decomposition pathways were established, depending on the phosphine used. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)00859-2