gadolinium phthalocyanine acetate | 124605-18-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: gadolinium phthalocyanine acetate
• 英文别名: gadolinium(3+);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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;acetate
• CAS: 124605-18-1
• 化学式: C₃₄H₁₉GdN₈O₂
• 分子量: 728.827
• InChiKey: BCWGSSPMAFMZQW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  gadolinium phthalocyanine acetate 在 溶剂黄146 作用下， 以 乙醇 、 溶剂黄146 为溶剂， 生成 酞青
  参考文献：
  名称：

  Mutual Influence of Ligands and Reactivity of Gd and Dy Acidophthalocyaninate Complexes

  摘要：

  The results of the kinetic study of dissociation of Gd(III) and Dy(III) complexes with phthalocyanine of the composition (X)LnPc (X is single-charged acido ligand) with isolation of macrocyclic ligand depending on the temperature, composition of mixed ethanol-acetic acid solvent, and the nature of acido ligand are presented. The total kinetic equations, the rate constants, and activation parameters of dissociation reaction are determined. The stoichiomeric mechanism is suggested for the complex dissociation involving the limiting elementary reaction between acetic acid molecule and the complex that occurs as the chelate salt (X)LnPc or the outer-sphere complex [(HOAc)LnPc]X-+(-). The state of metal phthalocyaninate at the reaction slow stage is shown to be determined by the electronic structure of the metal cation, the strength of binding of the axial ligand, and by its cis-effect on the metal bonds with macrocycle.

  DOI：

  10.1023/b:ruco.0000040727.21739.44
• 作为产物：
  描述：

  29H,31H-酞菁,锂盐(1:1) 、 gadolinium(III) acetate 以 二甲基亚砜 为溶剂， 以90%的产率得到gadolinium phthalocyanine acetate
  参考文献：
  名称：

  Lomova; Andrianova, Russian Journal of Physical Chemistry, 2000, vol. 74, # 9, p. 1432 - 1437

  摘要：

  DOI：

文献信息

• Phthalocyanine-based molecular paramagnets. Effect of double-decker structure on magnetothermal properties of gadolinium complexes
  作者：V.V. Korolev、T.N. Lomova、A.G. Ramazanova、D.V. Korolev、E.G. Mozhzhukhina

  DOI：10.1016/j.jorganchem.2016.07.002

  日期：2016.9

  at temperatures close to room. We predict and represent known phthalocyanine complexes as a new class of paramagnets with a large magnetocaloric effect at the temperatures close to room acting due to gadolinium atom located in a coordination site of a conjugated phthalocyanine macrocycle/macrocycles. Magnetothermal properties (a magnetocaloric effect, specific heat capacity, heat released due to MCE

  d由于在接近室温的温度下会产生大的磁热效应，因此可用于室温磁性制冷。我们预测并表示已知的酞菁配合物，作为一类新型的顺磁性体，在接近室温的温度下，由于g原子位于共轭酞菁大环/大环的配位部位，在室温下具有较大的磁热效应。顺磁（AcO）GdPc和GdPc 2的磁热性质（磁热效应，比热容，由于MCE释放的热，焓/熵变）在这些顺磁体家族中，首次研究了Pc –酞菁双阴离子，在278–338 K在0–1.0 T的磁场中3％的水悬浮液。磁热性质和比热容的研究分别通过微量热法和差示扫描量热法在两个独立的实验中进行。当磁场从0变为1 T时，（AcO）GdPc中的大正MCE在278 K时达到0.47K。与（AcO）GdPc相比，GdPc2中的MCE降低了近一个数量级，这表明分子内氧化激活的自旋偶合不超过两个自由基自旋的分子间偶合。
• Kasuga, Kuninobu; Takahashi, Seiji; Tsukahara, Keiichi, Inorganic Chemistry, 1990, vol. 29, # 2, p. 354 - 356
  作者：Kasuga, Kuninobu、Takahashi, Seiji、Tsukahara, Keiichi、Ohno, Takeshi

  DOI：——

  日期：——
• Synthesis and characterization of some lanthanide phthalocyanines
  作者：G. Clarisse、M.T. Riou

  DOI：10.1016/s0020-1693(00)85943-5

  日期：1987.6
• Phthalocyaninato lanthanide(iii) acetates as a new class of molecular paramagnets with large magnetocaloric effect
  作者：Victor V. Korolev、Tatyana N. Lomova、Anna G. Ramazanova、Elena G. Mozhzhukhina

  DOI：10.1016/j.mencom.2016.07.011

  日期：2016.7

  Lanthanide(III) ions situated in a coordination site of phthalocyanine macrocycle as molecular paramagnets with a large magnetocaloric effect at the temperatures close to room are presented for the first time on the examples of gadolinium and thulium.