2,3,9,10,16,17,23,24-octakis(n-hexadecylthio)phthalocyaninato lead(II) | 1256334-37-8

• 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-octakis(n-hexadecylthio)phthalocyaninato lead(II)
• 英文别名: 2,3,9,10,16,17,23,24-octakis(hexadecylthio)phthalocyaninato lead(II)
• CAS: 1256334-37-8
• 化学式: C₁₆₀H₂₇₂N₈PbS₈
• 分子量: 2771.7
• InChiKey: PEHZBBNGCNJADB-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：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  4,5-bis(hexadecylthio)benzene-1,2-dinitrile 在 lead(II) oxide 作用下， 反应 5.0h， 以19%的产率得到2,3,9,10,16,17,23,24-octakis(n-hexadecylthio)phthalocyaninato lead(II)
  参考文献：
  名称：

  Liquid crystalline octasubstituted lead(ii) phthalocyanines: effects of alkoxy and alkylthio substituents on film alignment and electrical properties

  摘要：

  利用 1H 和 13C NMR、UV-Vis、IR 和质谱以及元素分析法合成了外围位置含有烷硫基和烷氧基的八代酞菁铅（II），并对其进行了表征。通过差示扫描量热法、偏振光学显微镜和 X 射线衍射法研究了八取代酞菁铅（II）的介电性质。为了研究这些分子薄膜的 J（V）特性，制备了夹层结构 ITO/PbPc/In。薄膜在热处理前后的不同行为预计会导致薄膜中分子柱状堆叠内部的排列发生变化。

  DOI：

  10.1039/c2nj40247e

文献信息

• The synthesis and characterization of novel mesomorphic octa- and tetra-alkylthio-substituted lead phthalocyanines and their films
  作者：Devrim Atilla、Ayşe Gül Gürek、Tamara V. Basova、Vitaly G. Kiselev、Aseel Hassan、Liliya A. Sheludyakova、Vefa Ahsen

  DOI：10.1016/j.dyepig.2010.07.007

  日期：2011.3

  Two novel mesomorphic octakis and tetrakis (alkylthio)-substituted phthalocyanines of Pb(II) were synthesized and characterized using NMR UV-Vis FT-IR and mass-spectrometry The mesogenic properties of these new materials forming columnar-hexagonal mesophases were studied by differential scanning calorimetry optical microscopy and X-ray diffraction Visible absorption spectroscopy provided evidence of thermally induced molecular reorganization in films IR spectroscopy and density functional theory calculations were used to study the preferential orientation of molecules relative to the substrate surface The intense IR bands in the spectra of the lead phthalocyanines were assigned with the aid of quantum chemical computations The observed increase in the intensity of the out-of-plane modes in the IR spectra correlate with an average preferential edge-on orientation of the molecules on the substrate surface in the film The current-voltage characteristics of films before and after thermal treatment were also measured The results confirmed the film ordering proposed on the basis of the IR and DFT studies (C) 2010 Elsevier Ltd All rights reserved