{bis(phthalocyaninato)lutetium(III)}{NBu4} | 112816-39-4

• 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: {bis(phthalocyaninato)lutetium(III)}{NBu4}
• 英文别名: 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;lutetium(3+);tetrabutylazanium
• CAS: 112816-39-4
• 化学式: C₁₆H₃₆N*C₆₄H₃₂LuN₁₆
• 分子量: 1442.5
• InChiKey: JQJYGHTWQXPYBI-UHFFFAOYSA-N

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：

  {bis(phthalocyaninato)lutetium(III)}{NBu4} 、 cadmium(II) acetate dihydrate 以 neat (no solvent) 为溶剂， 以3.4%的产率得到[Cd(Lu(phthalocyaninato)2)2]
  参考文献：
  名称：

  A Discrete Quadruple-Decker Phthalocyanine

  摘要：

  The reaction of a double-decker phthalocyanine (Pc) complex, bis(phthalocyaninato)lutetium ([LuPc2](-)), with cadmium acetate at 400 degrees C for 30 min under argon provided the first example of a discrete quadruple-decker Pc complex, 1. The structure of 1 was unambiguously determined through the use of high-resolution mass spectrometry, elemental analysis, and NMR techniques such as (1)H-(1)H COSY, (13)C-(1)H COSY, and NOE experiments. The absorption and magnetic circular dichroism spectra of 1 resembled those of [LuPc(2)](-) and [Lu(2)Pc(3)] rather than those of the neutral double-decker species [LuPc(2)](0), since the formal charge on each Pc moiety is 2-. Electrochemical measurements exhibited a stacking effect based on the delocalization of the holes or electrons introduced by oxidation or reduction, respectively, over the entire complex.

  DOI：

  10.1021/ja100125e
• 作为产物：
  描述：

  四丁基高氯酸铵 、 bis(phthalocyaninato)lutetium(III) 在 N₂H₄*H₂O 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 {bis(phthalocyaninato)lutetium(III)}{NBu4}
  参考文献：
  名称：

  Moussavi, Mehdi; De Cian, André; Fischer, Jean, Inorganic Chemistry, 1988, vol. 27, # 7, p. 1287 - 1291

  摘要：

  DOI：

文献信息

• An analysis of paramagnetic shifts in proton NMR spectra of non-radical lanthanide(III)-phthalocyanine sandwich complexes
  作者：Hideo Konami、Masahiro Hatano、Akio Tajiri

  DOI：10.1016/0009-2614(89)87576-1

  日期：1989.8

  Proton NMR spectra of [NBu4] [Ln(III)Pc2] ([NBu4] = tetra (n-butyl)ammonium; Ln = Y, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Tm, Er, Yb and Lu; Pc = phthalocyanine) are reported. Analysis of NMR and UV-visible spectra suggests a highly symmetrical structure for [LnPc2]− in solution. Contact shifts and pseudo-contact shifts were separated from the observed paramagnetic shifts by a statistical analysis and the

  [NBu 4 ] [Ln（III）Pc 2 ]（[NBu 4 ] =四（正丁基）铵； Ln = Y，Pr，Nd，Sm，Eu，Gd，Tb，Dy，Ho，报告了Tm，Er，Yb和Lu； Pc =酞菁）。NMR和UV-可见光谱的分析表明[LnPc 2 ] -在溶液中具有高度对称的结构。通过统计分析将接触位移和伪接触位移与观察到的顺磁位移分开，并将结果与​​其他LSR配合物的数据进行比较。
• Haghighi, M. Safarpour; Homborg, H., Zeitschrift fur Anorganische und Allgemeine Chemie
  作者：Haghighi, M. Safarpour、Homborg, H.

  DOI：——

  日期：——
• Relationship between the Skew Angle and Interplanar Distance in Four Bis(phthalocyaninato)lanthanide(III) Tetrabutylammonium Salts ([NBu<i>ⁿ</i>₄][Ln^IIIPc₂]; Ln = Nd, Gd, Ho, Lu)
  作者：Naoto Koike、Hidehiro Uekusa、Yuji Ohashi、Chokto Harnoode、Fusao Kitamura、Takeo Ohsaka、Koichi Tokuda

  DOI：10.1021/ic960158d

  日期：1996.1.1

  Four crystal structures of the title complexes have been analyzed by X-ray crystallography. 1: C80H68N17Nd, a = 17.0545(6) Angstrom, c = 22.807(3) Angstrom, tetragonal, P4/ncc, Z = 4. 2: C80H68N17Gd, a = 17.399(8) Angstrom, c = 11.377(6) Angstrom, tetragonal, P42(1)2, Z = 2. 3: C80H70N17OHo, a = 18.096(5) Angstrom, c = 11.079(6) Angstrom, tetragonal, P42(1)2, Z = 4. 4: C80H70N17OLu, a = 18.171(3) Angstrom, c = 10.987(4) Angstrom, tetragonal, P4/nmm, Z = 2. The [Ln(III)Pc(2)](-) and [NBu(4)(n)](+) ions in each crystal stack alternately in a column along the 4-fold axis. The Ln(III) cation of each [Ln(III)Pc(2)](-) is eight-coordinated by two phthalocyanato dianions (Pc). The interplanar distances between the two Pc rings have a linear relationship to the ionic radii of the central Ln(III) cations. The skew angles between the two Pc rings are 6.2, 34.4, 43.2, and 45.0 degrees for the Nd, Gd, Ho, and Lu complexes, respectively. The skew angle seems to depend on the strength of the pi-pi interaction between the two Pc rings.