2,3,9,10,16,17,23,24-octa(n-hexyl)phthalocyaninatoruthenium(II) | 1242057-20-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: 2,3,9,10,16,17,23,24-octa(n-hexyl)phthalocyaninatoruthenium(II)
• CAS: 1242057-20-0
• 化学式: C₈₀H₁₁₂N₈Ru
• 分子量: 1286.89
• InChiKey: OYFGYVAUEQBBMW-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：

  4,5-bis(hexyl)phthalonitrile 在 ruthenium(III) chloride trihydrate 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙二醇乙醚 为溶剂， 反应 22.0h， 以30%的产率得到2,3,9,10,16,17,23,24-octa(n-hexyl)phthalocyaninatoruthenium(II)
  参考文献：
  名称：

  Influence of X-ray irradiation on the optical properties of ruthenium(II)octa-(n-hexyl)-phthalocyanine thin film

  摘要：

  Ruthenium(II)octa-(n-hexyl)-phthalocyanine [(n-hexyl)(8)PcRu] (2) thin films have been deposited on different substrates by thermal evaporation technique under high vacuum. X-ray diffraction (XRD) pattern of [(n-hexyl)(8)PcRu] (2) in the powder form indicated that it has polycrystalline form with a triclinic structure. The XRD results for [(n-hexyl)(8)PcRu] (2) thin films confirm the amorphous nature for the as-deposited films. The optical properties of [(n-hexyl)(8)PcRu] (2) were investigated for as-deposited and irradiated films using spectrophotometric measurements of the transmittance and reflectance at normal incidence of light in the wavelength range from 200 to 2500 nm. The recorded absorption measurements in the UV-vis region show two well defined absorption bands of phthalocyanine molecule; namely the Q-band and the Soret (B-band). The refractive index (n) and the absorption index (k) were calculated. According to the analysis of dispersion curves, the parameters, namely: the optical absorption coefficient (alpha), molar extinction coefficient (epsilon(molar)), Oscillator energy (E-0), oscillator strength (f), and electric dipole strength (q(2)) were also evaluated. The analysis of the spectral behaviour of the absorption coefficient (alpha), in the absorption region revealed indirect transitions. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jallcom.2010.04.029