phthalocyaninato(azido)chromium(III) | 108820-38-8

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: phthalocyaninato(azido)chromium(III)
• 英文别名: [PcCrN3]
• CAS: 108820-38-8
• 化学式: C₃₂H₁₆CrN₁₁
• 分子量: 606.549
• InChiKey: ZZSBBMFULHVJOP-UHFFFAOYSA-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：

  azidomanganese(III) meso-tetraphenylporphyrin 、 PcCr 以 further solvent(s) 为溶剂， 生成 phthalocyaninato(azido)chromium(III)
  参考文献：
  名称：

  A Rare μ-Hydroxo-Bridged Species. Synthesis, Structure, and Properties of μ-Hydroxo(tetraphenylporphyrinatomanganese(III))(phthalocyaninato(azido)chromium(III)), [(TPP)Mn−O(H)−CrPc(N₃)]

  摘要：

  A novel ditetrapyrrolic, heteroleptic, and heterometallic (Mn-Cr) mu-hydroxo-bridged complex has been prepared, and its structural and general properties have been studied. The species mu-hydroxo(tetraphenylporphyrin-atomanganese( III))(phthalocyaninato(azido) chromium(III)), [(TPP)Mn-O(H)-CrPc(N-3)], isolated as a chloronaphthalene (CINP) solvate, has been structurally characterized by single-crystal X-ray work. The two (TPP) Mn and CrPc(N-3) fragments are held together by the bridging mu-hydroxo ion with long Mn-O [1.993(5) angstrom] and Cr-O [1.976(5) angstrom] bond distances and a Mn-O(H)-Cr angle of 163.7(3). The five-coordinate Mn center in the (TPP) Mn fragment is displaced from the TPP rigorously planar central N-4 core by 0.128 angstrom, and the environment is typical of a Mn-III high-spin site. The six-coordinate CrIII in the CrPc(N-3) moiety lies practically in the plane of the phthalocyanine macrocycle (displacement toward the azido group: 0.054 angstrom). The average Mn-N-pyr and Cr-N-pyr bond distances are 2.011(6) and 1.982(6) angstrom, respectively, and the Mn-Cr bond distance is 3.929(2) angstrom. The porphyrin and phthalocyanine rings are in an almost eclipsed position [5.16(2)], and the mean planes of the two macrocycles form a dihedral angle of 5.79(4). Crystal data for [(TPP) Mn-O(H)-CrPc(N-3)](.)2CINP, C(76)H(45)CrMnN(15)O(.)2C(10)H(7)Cl: a = 16.645(3) angstrom, b = 17.692(4) angstrom, c = 25.828(5) angstrom, alpha = 90 degrees, beta = 98.79(3)degrees, gamma = 90 degrees, space group P2(1)/c (No. 14), V = 7517(3) angstrom(3), Z = 4, R1 = 0.086, and wR2 = 0.267. IR and UV-vis-near-IR spectral and room temperature magnetic susceptibility data of the [Mn-Cr] species are also presented.

  DOI：

  10.1021/ic060574q