copper(II) 4,4',4'',4'''-tetrabromophthalocyanine | 16049-08-4

• 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
• 英文名称: copper(II) 4,4',4'',4'''-tetrabromophthalocyanine
• 英文别名: copper(II) 2,9,16,23-tetrabromophthalocyanine；Copper;6,15,24,33-tetrabromo-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
• CAS: 16049-08-4
• 化学式: C₃₂H₁₂Br₄CuN₈
• 分子量: 891.663
• InChiKey: LDJUVPFNIITQHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.17
• 重原子数：
  45
• 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：
  76.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  copper(II) 4,4',4'',4'''-tetrabromophthalocyanine 、 碘 以 氯苯 为溶剂， 以68%的产率得到
  参考文献：
  名称：

  “Molecular Metals” Based on Copper(II) 2,9,16,23-tetrahalo Substituted Phthalocyanine Derivatives

  摘要：

  DOI：

  10.1080/00945710009351794
• 作为产物：
  描述：

  copper(II) 2,9,16,23-phthalocyanine tetradiazonium hydrogen sulfate 、 氢溴酸 在 CuBr 作用下， 以 氢溴酸 为溶剂， 以85%的产率得到copper(II) 4,4',4'',4'''-tetrabromophthalocyanine
  参考文献：
  名称：

  “Molecular Metals” Based on Copper(II) 2,9,16,23-tetrahalo Substituted Phthalocyanine Derivatives

  摘要：

  DOI：

  10.1080/00945710009351794

文献信息

• High-Efficiency Electrocatalyst Phthalocyanine in Li/SOCl₂ Batteries: From Experimental to Theoretical Investigation
  作者：Liangting Chen、Xinyu Yang、Xiaoqing Wang、Guangfa Hu、Ronglan Zhang、Ng Seik Weng、Jianshe Zhao

  DOI：10.1149/1945-7111/ac39e4

  日期：2021.12.1

  Li/SOCl₂ batteries, which are used in various fields due to theirs easy-carry and brilliant electrochemical properties, have attracted much research. However, the existence of the voltage hysteresis has limited further practical application of this tiny device. Herein, three series of nineteen kinds of metal phthalocyanine electrocatalysts with excellent electronic conductivity were synthesized to improve Li/SOCl₂ battery performance. The structure of the catalysts was verified by infrared spectroscopy, ultraviolet-visible spectroscopy, thermogravimetric analysis, and elemental analysis, and these materials were used to develop the discharge time, output voltage, and discharge capacity of the Li/SOCl₂ battery. With the addition of the phthalocyanine, the discharge time of the Li/SOCl₂ battery lengthens by approximately 20%, and the voltage can be increased by 0.02∼0.20 V. In addition, the actual battery capacity can also be raised by 20∼50%. Density functional theory was used to calculate the relationship between the metal center and catalytic activity and the results are in good agreement with the experimental which implies the electron density of the center metal is the key point in the electrocatalyst reaction.

  Li/SOCl2电池由于其易携带和卓越的电化学性能而在各个领域得到广泛应用，但电压滞后的存在限制了这种微小装置的进一步实际应用。因此，本研究合成了三系列19种具有优异电子导电性的金属酞菁电催化剂，以提高Li/SOCl2电池的性能。通过红外光谱、紫外-可见光谱、热重分析和元素分析验证了催化剂的结构，并使用这些材料来开发Li/SOCl2电池的放电时间、输出电压和放电容量。添加酞菁后，Li/SOCl2电池的放电时间延长了约20%，电压可增加0.02∼0.20 V。此外，实际电池容量也可以提高20∼50%。密度泛函理论用于计算金属中心和催化活性之间的关系，结果与实验结果吻合，表明中心金属的电子密度是电催化剂反应的关键点。
• Synthesis and characterization of a copper( <scp>II</scp> ) phthalocyanine‐based dye for organic photodetectors
  作者：Junho Kim、Jinhyeon Kang、In Hwan Jung

  DOI：10.1002/bkcs.12595

  日期：2022.9

  Novel copper(II) 4,4′,4″,4‴-tetra(hexylthienyl)phthalocyanine (CuPc-HT) was synthesized via Stille coupling reaction between 2-trimethylstannyl-5-hexylthiophene and tetra-brominated copper(II) phthalocyanine (CuPc). The incorporation of hexylthiophene to CuPc increased organic solubility, Q-band absorption and p-type characteristics. The bulk heterojunction organic photodetectors (OPDs) were developed

  通过2-三甲基甲锡烷基-5-己基噻吩与四溴化铜(II)酞菁的Stille偶联反应合成了新型铜(II) 4,4′,4″,4‴-四(己基噻吩基)酞菁(CuPC-HT)(铜）。将己基噻吩掺入到 CuPC 中增加了有机溶解度、Q 波段吸收和 p 型特性。通过将 CuPC-HT 与 n 型 [6,6]-苯基-C 71 -丁酸甲酯 (PC 71 BM) 混合来开发本体异质结有机光电探测器 (OPD)。基于CuPC-HT:PC 71 BM 的器件在 400-600 nm 范围内显示出强绿光检测。在 0.1 mW/cm 的 530 nm 发光二极管 (LED) 光下测得的比检测率 ( D* ) 为 3.1 × 10 11 Jones2在 -2 V 下，大约是 680 nm 红色 LED 照射下的三倍。研究了 OPD 的动态特性，CuPC-HT:PC 71 BM 器件的 -3 截止频率极高，为 0.1 MHz。值得注意的是，-1