{Hf(2,3,7,8,12,13,17,18-octaethylphorphyrinate)Cl2(H2O)}*C6D6 | 147859-64-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: {Hf(2,3,7,8,12,13,17,18-octaethylphorphyrinate)Cl2(H2O)}*C6D6
• CAS: 147859-64-1
• 化学式: C₆H₆*C₃₆H₄₆Cl₂HfN₄O
• 分子量: 884.249
• InChiKey: NGWBAMBSLBCKSM-DUKHXWBOSA-L

反应信息

• 作为产物：
  描述：

  {Hf(2,3,7,8,12,13,17,18-octaethylphorphyrinate)Cl2}*0.5CH2Cl2 、 氘代苯 以 氘代苯 为溶剂， 生成 {Hf(2,3,7,8,12,13,17,18-octaethylphorphyrinate)Cl2(H2O)}*C6D6
  参考文献：
  名称：

  Synthesis, characterization and crystal structures of novel hafnium porphyrins

  摘要：

  Dichlorohafnium porphyrin complexes [Hf(por)Cl2] [por = 2,3,7,8,12,13,17,18-octaethylporphyrinate (oep) or 5,10,15,20-tetraphenylporphyrinate (tpp)] which are potentially useful precursors for various hafnium porphyrin complexes, were synthesised and characterized. The structure of [Hf(oep)Cl2(H2O)] has been determined by X-ray crystallography; the co-ordination geometry around the Hf atom can be described as a 4:3 piano-stool with the square base occupied by the porphyrin N atoms and the legs by the two Cl atoms and a water molecule. Treatment of [Hf(por)Cl2] with [NBun4]3[P3O9] gave [NBun4][Hf(por)(P3O9)] (por = oep and tpp). The crystal structure of the oep complex revealed a seven-co-ordinate Hf atom surrounded by 4 N atoms of the porphyrin and 3 O atoms of the P3O93- ligand. The N4 and O3 planes are almost parallel and the Hf atom is located 1.007 angstrom above the N4 plane and 1.476 angstrom below the O3 plane. Crystal data for [Hf(oep)Cl2(H2O].C6H6: triclinic, space group P1BAR, a = 11.977(2), b = 12.261 (1), c = 14.677 (2) angstrom, alpha = 76.74 (1), beta = 85.41 (1), gamma = 74.41 (1)degrees, Z = 2; R = 0.081 and R' = 0.092 for 3325 independent reflections with I > 3sigma(I). Crystal data for [NBun4][Hf(oep)(P3O9)].2CHCl3: monoclinic, space group P2(1)/n, a = 15.490(2), b = 19.133(1), c = 22.761(4) angstrom, beta = 99.425(7)degrees, Z = 4; R = 0.036 and R' = 0.037 for 4823 independent reflections with I > 3sigma(I).

  DOI：

  10.1039/dt9930000205