2,4,6-Trinitrophenol - cerium (3:1) | 99553-03-4

• 英文名称: 2,4,6-Trinitrophenol - cerium (3:1)
• 英文别名: cerium picrate；Ce(III) picrate；cerium(III) picrate；picric acid ; cerium (III)-picrate；Ce(pic)3；Picrinsaeure; Cer(III)-picrat；Ce(picrate)3
• CAS: 99553-03-4
• 化学式: 3C₆H₂N₃O₇*Ce
• 分子量: 824.413
• InChiKey: KNSUJOVLIZOZGQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.48
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  152.48
• 氢给体数：
  0.0
• 氢受体数：
  7.0

安全信息

• 海关编码：
  2908999090

反应信息

• 作为反应物：
  描述：

  (-)-(1S,3S)-1,3-dithiane 1,3-dioxide 、 2,4,6-Trinitrophenol - cerium (3:1) 以 乙醇 为溶剂， 生成 Ce(picrate)3(trans-1,3-dithiane-1,3-dioxide)2
  参考文献：
  名称：

  Thermal decomposition and structural study of lanthanide complexes with trans-1,3-dithiane-1,3-dioxide

  摘要：

  合成并表征了与1,3-二硫烷-1,3-二氧化物配体的镧系元素匹克酸盐。通过TG/DTG和DSC进行了这些化合物的热分解和结构研究。发现这些化合物组成一个单一的同晶系列，其热分解过程呈放热反应。最终产物被发现为镧系元素二氧基硫酸盐。

  DOI：

  10.1007/s10973-006-7864-z

文献信息

• Synthesis, characterization, spectroscopy and thermal analysis of rare earth picrate complexes with L-lysine
  作者：T. S. Martins、J. R. Matos、G. Vicentini、P. C. Isolani

  DOI：10.1007/s10973-005-0844-x

  日期：2005.9

  Rare earth picrate (RE) complexes with L-lysine (Lys) were synthesized and characterized. Elemental analysis (CHN), EDTA titrations and thermogravimetry data suggest a general formula RE(pic)3·2Lys·2H2O, where RE=La-Lu (without Pm) and Y, pic=picrate). IR spectra suggest that Lys is coordinated to the central ion through the nitrogen of the α-amino group. Parameters obtained from the absorption spectrum of the Nd compound indicated that the metal-ligand bonds are essentially electrostatic. Emission spectrum and biexponential behavior of the luminescence decay of the Eu compound suggest the existence of polymeric species. Thermogravimetric/derivative thermogravimetric (TG/DTG) and differential scanning calorimetry (DSC) curves of all complexes are very similar, with five events. The final products are the corresponding rare earth oxides and their X-ray diffraction patterns are identical to the calcinated oxides.

  合成并表征了稀土皮克酸盐（RE）与L-赖氨酸（Lys）的络合物。元素分析（CHN）、EDTA滴定和热重分析数据表明，普遍公式为RE(pic)3·2Lys·2H2O，其中RE=La-Lu（不包括Pm）和Y，pic=皮克酸。红外光谱表明，Lys是通过α-氨基集团的氮与中心离子配位。从Nd化合物的吸收光谱获得的参数表明，金属-配体键基本上是静电作用。Eu化合物的发射光谱和双指数的荧光衰减行为表明存在聚合物种类。所有络合物的热重/导数热重（TG/DTG）和差示扫描量热（DSC）曲线非常相似，具有五个事件。最终产物是相应的稀土氧化物，其X射线衍射图谱与灼烧后的氧化物相同。
• Synthesis, characterization and spectroscopy of lanthanide picrate complexes with o-(benzylsulfinyl)methylbenzoate
  作者：K. Umeda、P.C. Isolani、M.H. Zaim、G. Vicentini

  DOI：10.1016/s0925-8388(02)00312-2

  日期：2002.10

  Complexes of the general formula (Ln(pic)(3)(.)2.5(BSMB) (Ln=La, Ce, Nd, Sm, Eu, Tb and Er; pic=picrate, BSMB=o-(benzylsulfinyl)methylbenzoate) were prepared. The characterization of the ligand and complexes were carried out by CHN elemental analyses, lanthanide titration with EDTA, IR absorption spectroscopy, conductance measurements and emission spectroscopy (for the Eu and Sm adducts). Conductance measurements, indicate a non electrolyte behavior. The SO stretching mode is shifted to lower energies, with respect to the neat ligand, evidencing coordination through the SO group. IR data also suggest that the picrate anions are bidentate, coordinated though the phenolic and one o-nitrogroup oxygens. The transition 5D(o) --> F-5(0,1,2) for europium and (4)G(5/2) --> (6)G(5/2.7/2.9/2) for samarium with broad, non-resolved peaks, yield evidence of the polymeric nature of these complexes. (C) 2002 Elsevier Science B.V. All rights reserved.
• Shi-Xia, Liu; Wei-Sheng, Liu; Min-Yu, Tan, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1997, vol. 36, # 3, p. 206 - 209
  作者：Shi-Xia, Liu、Wei-Sheng, Liu、Min-Yu, Tan

  DOI：——

  日期：——