beryllium phthalocyanine monohydrate | 883967-95-1

• 英文名称: beryllium phthalocyanine monohydrate
• 英文别名: aqua(phthalocyaninato)beryllium(II)；Be(phtalocyanine)(H2O)
• CAS: 883967-95-1
• 化学式: C₃₂H₁₈BeN₈O
• 分子量: 539.56
• InChiKey: IYUSZJAZZGLQBW-UHFFFAOYSA-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：
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反应信息

• 作为反应物：
  描述：

  beryllium phthalocyanine monohydrate 以 neat (no solvent) 为溶剂， 生成 beryllium phthalocyanine
  参考文献：
  名称：

  Synthesis, X-ray structures and characterization of beryllium phthalocyanine and (2-ethoxyethanol)-aqua-beryllium phthalocyanine

  摘要：

  Crystals of beryllium phthalocyanine (1) were obtained from the reaction of beryllium pieces with 1.2-dicyanobeilzene at 270 degrees C. In subsequent preparatory work the beryllium phtholocyanine was transformed into the monoaxially ligated compound (2-ethoxyethanol)aqua-beryllium phthalocyanine (11). The crystal structures of (1) and (11) were determined by single crystal X-ray diffraction. Based on thermogravimetric measurements, a conversion of the beryllium phthalocyanine into beryllium plithalocyanine monohydrate in wet air has been followed in detail. The beryllium phthalocyanine monohydrate and compound 11 loose the ligated water and 2-ethoxyethanol in the 150 degrees C region. The EPR spectra of the beryllium phthalocyanine complexes as exposed to air have been recorded and discussed. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.10.059
• 作为产物：
  描述：

  beryllium phthalocyanine 、 水 以 neat (no solvent) 为溶剂， 生成 beryllium phthalocyanine monohydrate
  参考文献：
  名称：

  Synthesis, X-ray structures and characterization of beryllium phthalocyanine and (2-ethoxyethanol)-aqua-beryllium phthalocyanine

  摘要：

  Crystals of beryllium phthalocyanine (1) were obtained from the reaction of beryllium pieces with 1.2-dicyanobeilzene at 270 degrees C. In subsequent preparatory work the beryllium phtholocyanine was transformed into the monoaxially ligated compound (2-ethoxyethanol)aqua-beryllium phthalocyanine (11). The crystal structures of (1) and (11) were determined by single crystal X-ray diffraction. Based on thermogravimetric measurements, a conversion of the beryllium phthalocyanine into beryllium plithalocyanine monohydrate in wet air has been followed in detail. The beryllium phthalocyanine monohydrate and compound 11 loose the ligated water and 2-ethoxyethanol in the 150 degrees C region. The EPR spectra of the beryllium phthalocyanine complexes as exposed to air have been recorded and discussed. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.10.059

文献信息

• Comparative study of beryllium, magnesium and zinc phthalocyanine complexes with 4-picoline
  作者：R. Kubiak、J. Janczak、M. Śledź、E. Bukowska

  DOI：10.1016/j.poly.2007.05.018

  日期：2007.9

  Three new Be(II), Mg(II) and Zn(II) phthalocyaninato(2-) complexes with 4-picoline (4-Mepy) in the crystalline form have been obtained by recrystallization of the respective M(II)Pc in 4-picoline under water-free conditions. BePc and ZnPc in 4-picoline solution form 4 + 1 coordinated complexes, while the 4-Mepy molecules biaxially ligate MgPc. The planar phthalocyaninato(2-) macroring of BePc and ZnPc upon mono-axial ligation by the 4-Mepy molecule adopts the saucer-shape form. The interaction of the central M(II) with the ligated 4-Mepy molecule leads to a deviation of the metal from the centre cavity by similar to 0.31 angstrom and similar to 0.35 angstrom in the Be and Zn phthalocyaninato complexes, respectively. In MgPc, the Pc ring upon biaxial ligation retains a planar configuration. The axial M(II)N(4-Mepy) bond is longer than the four equatorial M(II)-N-iso bonds in Mg and Zn phthalocyaninato complexes, while in the Be complex the opposite relation between the axial and equatorial Be-N bonds is observed. Thermogravimetric analysis for all these compounds exhibits only one slope down, due to the loss of 4-Mepy molecules from the complexes, which transform finally into the respective M(II)Pc complexes in the beta-form. (C) 2007 Elsevier Ltd. All rights reserved.