[Hf(5,10,15,20-tetraphenylporphyrinate)Me2] | 163018-29-9

• 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(5,10,15,20-tetraphenylporphyrinate)Me2]
• CAS: 163018-29-9
• 化学式: C₄₆H₃₄HfN₄
• 分子量: 821.293
• InChiKey: GXDDBXWJZSFMPE-NBICUONBSA-N

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：

  [Hf(5,10,15,20-tetraphenylporphyrinate)Me2] 在 water 作用下， 以 氘代苯 为溶剂， 生成 [Hf(5,10,15,20-tetraphenylporphyrinate)]2(μ-O)-(μ-OH)2 * H2O * C6D6
  参考文献：
  名称：

  Synthesis and characterization of the first organometallic hafnium porphyrin complex Hf(TPP)(Me)2 (TPP = 5,10,15,20-tetraphenylporphyrinate) and crystal structure of its hydrolysis product [Hf(TPP)]2(μ-O)(μ-OH)2

  摘要：

  The first organometallic hafnium(IV) porphyrin complex Hf(TPP)(Me)(2) (TPP = 5,10,15,20-tetraphenylporphyrinate) was synthesized and characterized. The H-1 NMR spectrum of the complex suggested that the methyl groups are cis to each other. An attempt to crystallize the complex yielded the trioxygen-bridged dimer complex [Hf(TPP)](2)(mu-O)(mu-OH)(2) which was presumably formed by hydrolysis. The structure of the hydrolysis product has been determined by X-ray crystallography. The crystal structure revealed two hydroxo and one oxo groups bridging two hafnium porphyrin moieties. Crystal data for [Hf(TPP)](2)(mu-O)(mu-OH)(2): orthorhombic, space group Fdd2, a=25.476(4), b=39.361(8), c=14.848(2) Angstrom, Z=8; R=0.046 and R(w),=0.049 for 1609 independent reflections with 1>3 sigma(I).

  DOI：

  10.1016/0020-1693(94)04161-n
• 作为产物：
  描述：

  Cl2Hf(TPP) 、 甲基锂 以 乙醚 、 甲苯 为溶剂， 以23%的产率得到[Hf(5,10,15,20-tetraphenylporphyrinate)Me2]
  参考文献：
  名称：

  Synthesis and characterization of the first organometallic hafnium porphyrin complex Hf(TPP)(Me)2 (TPP = 5,10,15,20-tetraphenylporphyrinate) and crystal structure of its hydrolysis product [Hf(TPP)]2(μ-O)(μ-OH)2

  摘要：

  The first organometallic hafnium(IV) porphyrin complex Hf(TPP)(Me)(2) (TPP = 5,10,15,20-tetraphenylporphyrinate) was synthesized and characterized. The H-1 NMR spectrum of the complex suggested that the methyl groups are cis to each other. An attempt to crystallize the complex yielded the trioxygen-bridged dimer complex [Hf(TPP)](2)(mu-O)(mu-OH)(2) which was presumably formed by hydrolysis. The structure of the hydrolysis product has been determined by X-ray crystallography. The crystal structure revealed two hydroxo and one oxo groups bridging two hafnium porphyrin moieties. Crystal data for [Hf(TPP)](2)(mu-O)(mu-OH)(2): orthorhombic, space group Fdd2, a=25.476(4), b=39.361(8), c=14.848(2) Angstrom, Z=8; R=0.046 and R(w),=0.049 for 1609 independent reflections with 1>3 sigma(I).

  DOI：

  10.1016/0020-1693(94)04161-n