nickel(II) 2,9,16,23-tetra-nitro-phthalocyanine | 27680-29-1

• 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: nickel(II) 2,9,16,23-tetra-nitro-phthalocyanine
• 英文别名: 2,9,16,23-tetranitronickel phthalocyanine；nickel(II) tetranitrophthalocyanine；nickel 4,4',4'',4'''-tetranitrophthalocyanine；NiPc(NO2)4；Ni(II)-19,25,31,37-tetranitro-phthalocyanine；(4,4',4'',4'''-Tetranitrophthalocyaninato)nickel；nickel(2+);6,15,24,33-tetranitro-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: 27680-29-1
• 化学式: C₃₂H₁₂N₁₂NiO₈
• 分子量: 751.213
• InChiKey: JIFKQORSHICJKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.76
• 重原子数：
  53
• 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：
  259
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  nickel(II) 2,9,16,23-tetra-nitro-phthalocyanine 在 sodium sulfide 作用下， 以 水 为溶剂， 反应 5.0h， 生成 四氨基酞菁镍
  参考文献：
  名称：

  四胺酞菁的研究

  摘要：

  通过一种新颖的改进方法，以纯态合成了钴，镍和铜的金属（II）四硝基酞菁。使用元素，电子和红外光谱研究对复合物进行表征。钴，镍和铜的纯金属（II）四氨基酞菁是通过使用硫化钠还原上述络合物的硝基而合成的。这些配合物的特征还包括元素，电子，红外光谱和磁化率测量。在303–473 K的温度范围内研究了上述三种金属（Ⅱ）四氨基酞菁衍生物的电导率的性质，并给出了数据。在各种取代基对酞菁的导电性能的影响中，已发现酞菁分子的外围苯环上的胺基取代基最大程度地提高了电导率。这些复合物显示约10电导率是其母体酞菁化合物的5 – 10 6倍。

  DOI：

  10.1016/j.jorganchem.2004.07.045
• 作为产物：
  描述：

  邻苯二甲酸亚胺 在 硫酸 、 硝酸 、 尿素 作用下， 反应 1.0h， 生成 nickel(II) 2,9,16,23-tetra-nitro-phthalocyanine
  参考文献：
  名称：

  Synthesis and evaluation of antibacterial activity of water-soluble copper, nickel and zinc tetra (n-carbonylacrylic) aminephthalocyanines

  摘要：

  Water-soluble copper, nickel, and zinc tetra (n-carbonylacrylic) aminephthalocyanines were synthesized with an aim to evaluate their role as therapeutic materials. They were characterized by UV-Vis spectrophotometer, infra-red spectra, elemental analysis, nuclear magnetic resonance, and thermogravimetry. Efforts were made to optimize the synthesis of intermediates and final products. Photoluminescence studies were carried out on these compounds. The investigation of antibacterial activity of these aqueous soluble phthalocyanines was carried out on Staphylococcus citreus, Serratia marcescens, Proteus vulgaris, Bacillus subtilis, and Pseudomonas fluorescence, showed good inhibitory activity.

  DOI：

  10.1007/s00044-012-0427-x

文献信息

• Synthesis and Spectral Studies on Substituted Metal (II)-Tetra-1-(Thiophene-2-yl)methanimine Phthalocyanine Complexes
  作者：Fasiulla Fasiulla、Yashoda M.P

  DOI：10.13005/ojc/340344

  日期：2018.6.28

  The synthesis, characterization of symmetrically substituted transition metal (ΙΙ) – tetra-1-(thiophene-2-yl) methaniminephthalocyanine complexes by condensation of tetraamino phthalocyanines with 2- thiophenecarboxaldehyde had been prepared. The structural and characterization of theblue colour tetra -1- (thiophene-2- yl) methaniminephthalocyanine complexesare elucidated by using a number of analytical techniques like FT -Infrared , UV-Vis spectroscopy, XRD, magnetic measurements and thermo-gravimetric analysis.The kinetic parameters and thermal decomposition of synthesized phthalocyanines complexes were calculated using thermo-gravimetric analytical data.

  通过四氨基酞菁与2-噻吩甲醛的缩合反应合成了对称取代的过渡金属(II) - 四-1-(噻吩-2-基)亚甲基咔唑酞菁络合物，并进行了表征。利用FT-红外光谱、UV-Vis光谱、XRD、磁性测量和热重分析等多种分析技术阐明了蓝色四-1-(噻吩-2-基)亚甲基咔唑酞菁络合物的结构和特性。热重分析数据用于计算合成酞菁络合物的动力学参数和热分解特性。
• Precise design of nickel phthalocyanine molecular structure: Optimizing electronic and spatial effects for remarkable electrocatalytic CO2 reduction
  作者：Jingjing Li、Fengwei Zhang、Xinyu Zhan、Hefang Guo、Han Zhang、Wen-Yan Zan、Zhenyu Sun、Xian-Ming Zhang

  DOI：10.1016/s1872-2067(23)64412-2

  日期：2023.5

  electronic and geometric effects of the NiN4 site in a group of nickel phthalocyanine (NiPc)-based molecular catalysts on the performance of CO2RR are investigated. Density functional theory calculations indicate that only electron-withdrawing and ortho-nitro-substituted NiPc-based molecularly dispersed electrocatalysts can significantly enhance the NiN4 active site for CO2 activation. The lowest activation

  过渡金属-氮-碳电催化剂 (MNC) 提供的原子分散代表了一种有前途的系统，可有效催化 CO 2还原反应 (CO 2 RR) 生成 CO 产物。然而，准确阐明通过热解合成的 MNC 催化剂的催化机理受到 MN x活性位点配位环境模糊性的阻碍。在此，通过理论和实验相结合的方法，研究了一组镍酞菁（NiPc）基分子催化剂中NiN 4 位点的电子和几何效应对CO 2性能的影响。RR 正在调查中。密度泛函理论计算表明，只有吸电子和邻硝基取代的基于NiPc的分子分散电催化剂才能显着增强NiN 4活性位点以激活CO 2。与其他参考催化剂相比，形成 *COOH 中间体所需的活化能最低。我们的建模与我们的实验结果完全一致，证明了取代基的位置和推拉电子效应同时对 CO 2 RR催化剂性能起着至关重要的作用。
• Synthesis and Characterization of Metal (II) Phthalocyanine Containing N, N-Dimethyl Phenyl Moieties
  作者：Fasiulla Fasiulla

  DOI：10.13005/ojc/380506

  日期：2022.10.31

  Synthesized of novel metal (II)- tetra-4-(N,N-dimethyl phenyl) methan-imine phthalocyanines (MTDMPhImPc) [ M = Co, Ni, Cu, Zn] by an effective and suitable method. The tetra-nitrophthalocyanines converted into aminophthalocyanines by reduction. Than amino phthalocyanines derivatives bearing tetra-4-(N,N-dimethyl phenyl) to form tetra substituted 4-(N,N-dimethyl phenyl) methane-imine phthalocyanines complexes. These derivatives compounds were characterized by FTIR, elemental analysis, magnetic and powder XRD properties to check the purity and structural integrity. Magnetic measurements on copper and cobalt substituted phthalocyanine complexes in the range of magnetic strength 2.21 to 4.02 kG that a variation of field strength with magnetic moments due to the presence of an intermolecular cooperative effect

  采用一种有效而合适的方法合成了新型金属（II）-四-4-（N,N-二甲基苯基）甲亚胺酞菁（MTDMPhImPc）[M = Co、Ni、Cu、Zn]。四硝基酞菁通过还原作用转化为氨基酞菁。这些氨基酞菁衍生物含有四-4-（N,N-二甲基苯基），形成四取代的 4-（N,N-二甲基苯基）甲烷-亚胺酞菁配合物。通过傅立叶变换红外光谱、元素分析、磁性和粉末 XRD 特性对这些衍生物化合物进行了表征，以检查其纯度和结构完整性。在磁场强度为 2.21 至 4.02 kG 的范围内，对铜和钴取代的酞菁配合物进行了磁性测量，结果表明，由于分子间合作效应的存在，磁场强度随磁矩的变化而变化。
• Fuel from waste: electrosynthesizing ammonia directly from agricultural digestate through ligand isomerization
  作者：Rahul Mahadeo Mendhe、Ritwik Mondal、Alagar Raja Kottaichamy、Akshay Haridas、Harish Makri Nimbegondi Kotresh、Chathakudath Prabhakaran Vinod、Ravikumar Thimmappa、Musthafa Ottakam Thotiyl

  DOI：10.1039/d4gc00740a

  日期：——

  demonstrate that the catalytic metal centre for ammonia production can be selectively activated with only a slight alteration in ligand isomerization (α and β isomers), making it practical and effective even for agricultural effluents. With almost 90% faradaic efficiency, the β isomer generates approximately 0.64 mg h−1 cm−2 of ammonia. Energy-efficient ammonia recovery is made possible by the interfacial

  我们证明，只需稍微改变配体异构化（α 和 β 异构体）即可选择性地激活用于氨生产的催化金属中心，使其即使对于农业废水也实用且有效。 β异构体的法拉第效率几乎为 90%，可产生约 0.64 mg h -1 cm -2的氨。 β-异构化产生的界面质子电荷组装可以吸引反应中的硝酸盐并排斥竞争性水合氢离子，从而实现节能的氨回收。这种异构化方法能够以最低的能耗将农业废水转化为氨燃料，理论收率高达 84%，并在连续电解 100 小时以上的情况下保持稳定性。
• Carbon Nanotubes Chemically Modified by Metal Phthalocyanines with Excellent Electrocatalytic Activity to Li/SOCl₂Battery
  作者：Yan Gao、Siwen Li、Xiao Wang、Ronglan Zhang、Gai Zhang、Ying Zheng、Jianshe Zhao

  DOI：10.1149/2.0611706jes

  日期：——

  Carbon nanotubes (CNTs)-templated metal phthalocyanines (MPc) (M = Mn(II), Fe(II), Co(II), Ni(II), Cu(II), Zn(II)) assemblies (CNTs-CONH-MPc) were synthesized and characterized by IR, XRD, SEM, XPS. The lithium-thionyl chloride (Li/SOCl2) cells using CNTs-CONH-MPc as catalysts showed excellent performance, which the capacities increased by 15.44-88.49%, and the initial voltages improved to 3.09-3.22 V. The sequence of the electrochemical catalytic performance of CNTs-CONH-MPc was ranked by central metal ion: Co > Ni > Mn > Fe > Cu > Zn. Based on cyclic voltammetry measurements, the reasonable mechanism is proposed and the role of catalyst is verified. The modified CNTs by MPc greatly promoted the electronic transmission, which significantly improved the performance and the initial voltage of Li/SOCl2 battery. (C) 2017 The Electrochemical Society. All rights reserved.