(2-aza-2-benzyl-5,10,15,20-tetraphenyl-21-carbaporphyrinato)nickel(II) | 1353564-80-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (2-aza-2-benzyl-5,10,15,20-tetraphenyl-21-carbaporphyrinato)nickel(II)
• 英文别名: Ni(2-NCH2C6H5NCTPP)；bromo(2-aza-2-benzyl-5,10,15,20-tetraphenyl-21-carbaporphyrinato-N,N',N'')nickel(II)
• CAS: 1353564-80-3
• 化学式: C₅₁H₃₄N₄Ni
• 分子量: 761.548
• InChiKey: SYUYGJZYZYFPPL-GIPLGXDKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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反应信息

• 作为产物：
  描述：

  2-aza-2-benzyl-5,10,15,20-tetraphenyl-21-carbaporphyrin 在 nickel diacetate 作用下， 以 乙腈 为溶剂， 反应 12.0h， 以68%的产率得到(2-aza-2-benzyl-5,10,15,20-tetraphenyl-21-carbaporphyrinato)nickel(II)
  参考文献：
  名称：

  Metal complexes of 2-aza-2-benzyl-5,10,15,20-tetraphenyl-21-carbaporphyrin: M(2-NCH2C6H5NCTPP) (M=Ni2+, Pd2+) and Mn(2-NCH2C6H5NCTPP)Br (NCTPP=N-confused 5,10,15,20-tetraphenyl porphyrinate)

  摘要：

  The crystal structures of (2-aza-2-benzyl-5,10,15,20-tetraphenyl-21-carbaporphyrinato-N,N',N '') nickel( II) methylene chloride solvate [Ni(2-NCH2C6H5NCTPP); 4], (2-aza-2-benzyl-5,10,15,20-tetraphenyl-21-carbaporphyrinato-N,N',N '') palladium(II) [Pd(2-NCH2C6H5NCTPP); 5] and bromo(2-aza-2-benzyl-5,10,15,20-tetraphenyl-21-carbaporphyrinato-N,N',N '') manganese(III) toluene solvate [Mn(2-NCH2C6H5NCTPP) Br center dot C6H5CH3; 3 center dot C6H5CH3] have been established. The coordination sphere around the Ni2+ ion in 4 (or Pd2+ ion in 5) is distorted square planar (DSP), whereas for Mn3+ in 3 center dot C6H5CH3, it is a square-based pyramid with the Br atom lying in the axial site. The g value of 11.34, measured from parallel polarization of the X-band EPR spectra at 4K, is consistent with a high spin mononuclear manganese(III) centre (S = 2) in 3. The magnitude of the axial (D) zero-field splitting (ZFS) for the mononuclear Mn(III) centre in 3 was determined approximately to be 1.4 cm(-1) by paramagnetic susceptibility measurements and conventional EPR spectroscopy. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.09.034