氟铝酞菁 | 51961-93-4

• 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
• 中文名称: 氟铝酞菁
• 中文别名: [1,1'-联苯基]-4-甲醛,3'-氯-4'-甲基-
• 英文名称: fluoro-aluminium phthalocyanine
• 英文别名: fluoroaluminum phthalocyanine；fluoro(phthalocyanato)aluminum(III)；FPcAl；AlF(phthalocyaninato)；AlFPc；38-Fluoro-9,18,27,36,37,39,40,41-octaza-38-aluminadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene
• CAS: 51961-93-4
• 化学式: C₃₂H₁₆AlFN₈
• 分子量: 558.513
• InChiKey: DBJSWRKXXAWLNK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.75
• 重原子数：
  42
• 可旋转键数：
  0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  79.3
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  氟铝酞菁 、 碘 以 neat (no solvent) 为溶剂， 生成 fluoro-aluminium phthalocyanine * I0.10
  参考文献：
  名称：

  Occurrence of Antiferromagnetic Transitionin Iodine Doped AlPcF Film

  摘要：

  Magnetism of iodine doped fluoro-aluminum phthalocyanine (AlPcF) film is studied by electron spin resonance (ESR) in two stable doping states: In State I, a doped AlPcF film is always in contact with saturated I2 gas (AlPcF.I4.0); In State II, a doped film is in no contact with I2 gas (AlPcF.I0.10). An antiferromagnetic transition is observed in both states. In State I in vacuum, the transition temperature depends on samples and the highest transition temperature observed is 160 K. In State II, it does not depend on samples and is 150 K in vacuum and 220 K at 1 atm. The occurrence of the magnetic transition indicates an existence of three dimensional magnetic coupling, i.e. interchain and intrachain couplings. An information about back charge transfer probability from I3- to AlPcF+. in State II is obtained from a degree of g anisotropy. With a help of this information, possible mechanisms of the interchain coupling are discussed.

  DOI：

  10.1143/jpsj.60.3525
• 作为产物：
  描述：

  (SP-5-12)-羟基[29H,31H-酞菁根合-&kappa 在 HF 作用下， 以 氢氟酸 为溶剂， 生成 氟铝酞菁
  参考文献：
  名称：

  再生太阳能电池中某些铝酞菁的光电化学

  摘要：

  当薄膜与酸性 (HCl) 水溶液接触时，在 SnO/sub 2/ 上以高生长速率升华的氯铝酞菁 (ClAlPc) 薄膜可以进行两次转化：如果溶液含有 I/ sub 3//I 和转化 H 当溶液中没有氧化还原对时发生。这两种变换产生的短路光电流是不同的。最高 J/sub sc/(1.1 mA cm/sup -2/)，在 100 mW cm/sup -2/ 白光照明下，测量转换 I。 初始和高光敏薄膜之间差异的研究表明转变 I 在吸收光谱和作用光谱中都诱导了 840 nm 波段的增长。而且，

  DOI：

  10.1149/1.2097296

文献信息

• Highly conducting linear stacked polymers: iodine-doped fluoroaluminum and fluorogallium phthalocyanines
  作者：Ronald S. Nohr、Paul M. Kuznesof、Kenneth J. Wynne、Malcolm E. Kenney、P. G. Siebenman

  DOI：10.1021/ja00405a014

  日期：1981.7

  514.5 nm) of (PcMFI/sub x)/sub n/ showed strong scattering attributable to I/sub 3//sup -/ (106 to 108 cm/sup -1/) and I/sub 5//sup -/ (164 to 168 cm/sup -1/). The pentaiodide band dominated the spectra of all samples with the exception of compositions prepared by heating (PcAlFI/sub 3/ /sub 4/)/sub n/ to temperatures less than 200/sup 0/C for which the 107 cm/sup -1/ (I/sub 3//sup -/) transition was

  已经制备了酞菁-铝和酞菁-氟化镓并用碘掺杂以得到 (PcMFI/sub x/)/sub n/ 组合物，其中 x = 0.012 至 3.4 (M = Al) 和 x = 0.048 至 2.1 (M =嘎）。热重分析证明可用于碘分析，因为在低于 250/sup 0/C 时观察到这些材料的 I/sub 2/ 完全损失，留下 PcMF 残留物。拉曼光谱和红外光谱都用于表征掺碘的 PcMF 材料。(PcMFI/sub x)/sub n/ 的拉曼光谱 (..nu../sub 0/ = 514.5 nm) 显示强散射归因于 I/sub 3//sup -/（106 至 108 cm/sup - 1/) 和 I/sub 5//sup -/（164 到 168 厘米/sup -1/）。除了通过加热 (PcAlFI/sub 3/ /sub 4/)/sub n/ 到低于 200/sup 0/C 的温度制备的组
• Partially oxidized Group 3B fluorometallophthalocyanines
  作者：Patrick Brant、David C. Weber、Steven G. Haupt、Ronald S. Nohr、Kenneth J. Wynne

  DOI：10.1039/dt9850000269

  日期：——

  Thermally-ramped mass spectra show that primary decomposition products are fluorinated organic compounds and anion fragments. X-Ray powder diffraction data show that new diffraction lines are formed on doping these stacked polymers. It is believed that these new lines correspond to some disruption of the original crystal lattice. A broad electronic transition is detected in the i.r. spectra of the doped products;

  氟桥3族金属酞菁[M（pc）F} n ]（M = Al或Ga）已与硝鎓盐NO + Y –（Y = BF 4或PF 6）反应。这些反应产物产生的压制颗粒的电导率高达10Ω –1 cm –1。颗粒电导率可在环境空气中无限期保持。样品的热稳定性最高（热重分析），最高可达约。150℃。热倾斜质谱表明，主要的分解产物是氟化的有机化合物和阴离子碎片。X-射线粉末衍射数据表明，在掺杂这些堆叠的聚合物时形成了新的衍射线。据信，这些新线对应于原始晶格的某些破坏。在掺杂产物的红外光谱中检测到较宽的电子跃迁；过渡的强度随掺杂剂浓度的增加而增加。纯的前体酞菁是抗磁性的，而掺杂的产物都包含离域的不成对的自旋。通过esr和磁化率方法测得的室温下的产品自旋密度为每个掺杂剂分子0.005至0.18个自旋。所确定的自旋信号温度依赖性包括具有居里尾巴的鲍里样行为和反铁磁行为。X掺杂产品的射线光电子光谱与酞菁环上的离域正电荷
• Homborg, H.; Murray, K. S., Zeitschrift fur Anorganische und Allgemeine Chemie
  作者：Homborg, H.、Murray, K. S.

  DOI：——

  日期：——
• Occurrence of Antiferromagnetic Transitionin Iodine Doped AlPcF Film
  作者：Ichiro Hiromitsu、Hitoshi Aoyama、Jun Takeuchi、Takashi Ito

  DOI：10.1143/jpsj.60.3525

  日期：1991.10.15

  Magnetism of iodine doped fluoro-aluminum phthalocyanine (AlPcF) film is studied by electron spin resonance (ESR) in two stable doping states: In State I, a doped AlPcF film is always in contact with saturated I2 gas (AlPcF.I4.0); In State II, a doped film is in no contact with I2 gas (AlPcF.I0.10). An antiferromagnetic transition is observed in both states. In State I in vacuum, the transition temperature depends on samples and the highest transition temperature observed is 160 K. In State II, it does not depend on samples and is 150 K in vacuum and 220 K at 1 atm. The occurrence of the magnetic transition indicates an existence of three dimensional magnetic coupling, i.e. interchain and intrachain couplings. An information about back charge transfer probability from I3- to AlPcF+. in State II is obtained from a degree of g anisotropy. With a help of this information, possible mechanisms of the interchain coupling are discussed.
• Photoelectrochemistry of Some Aluminum Phthalocyanines in Regenerative Solar Cells
  作者：D. Guay、J. P. Dodelet、R. Côté、C. H. Langford、D. Gravel

  DOI：10.1149/1.2097296

  日期：1989.8.1

  rate on SnO/sub 2/ can be made to undergo two transformations when the films are in contact with an acidic (HCl) aqueous solution: transformation I is obtained if the solution contains I/sub 3//I and transformation H occurs when there is no redox couple in the solution. The short-circuit photocurrents produced by these two transformations are different. The highest J/sub sc/(1.1 mA cm/sup -2/), under

  当薄膜与酸性 (HCl) 水溶液接触时，在 SnO/sub 2/ 上以高生长速率升华的氯铝酞菁 (ClAlPc) 薄膜可以进行两次转化：如果溶液含有 I/ sub 3//I 和转化 H 当溶液中没有氧化还原对时发生。这两种变换产生的短路光电流是不同的。最高 J/sub sc/(1.1 mA cm/sup -2/)，在 100 mW cm/sup -2/ 白光照明下，测量转换 I。 初始和高光敏薄膜之间差异的研究表明转变 I 在吸收光谱和作用光谱中都诱导了 840 nm 波段的增长。而且，