gadolinium(3+);trinitrate;hexahydrate | 141671-52-5

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 镧系含氧阴离子化合物
• 英文名称: gadolinium(3+);trinitrate;hexahydrate
• CAS: 141671-52-5
• 化学式: GdH₁₂N₃O₁₅
• 分子量: 451.356
• InChiKey: XWFVFZQEDMDSET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.67
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  195
• 氢给体数：
  6
• 氢受体数：
  15

ADMET

毒理性

• 副作用

纤维原性 - 引发组织损伤和纤维化（疤痕形成）。

Fibrogenic - Inducing tissue injury and fibrosis (scarring).

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

反应信息

• 作为反应物：
  描述：

  磷酸三苯酯 、 gadolinium(3+);trinitrate;hexahydrate 以 丙酮 为溶剂， 反应 0.25h， 以97.2%的产率得到
  参考文献：
  名称：

  有机磷改性的硝酸镧盐作为潜在的Act系元素氧化物气溶胶替代物

  摘要：

  在搜索用于从钚铀氧化还原萃取（PUREX）处理烧伤，一系列硝酸镧系元素水合物（[LN（气雾剂铀废产物合适的模拟物的κ 2 - NO 3）3 · Ñ ħ 2 O]）溶解在存在煤油中的磷酸三丁酯（O═P（O（CH 2）3 CH 3）3）称为三丁酸酯或丙酮中的磷酸三苯酯（O═P（O（C 6 H 5）称为TPhP））的晶体结构硝酸镧系和铀硝酸的TPhP衍生物就解决了为[LN（κ 2 - NO3）3（TPhP）3 ]（LN =的La，Ce的，镨，钕，钐，铕，钆，铽，镝，何，铒，的Tm，镱，路）和[U（O）2（κ 2 - NO 3）2（TPhP）2 ]（U）。镧系元素-TBP，Ln和U使用FTIR光谱，31 P NMR光谱，热重分析和X射线荧光光谱进一步表征。此外，通过PXRD分析发现使用箱式炉模拟热解条件对镧系元素TBP，Ln和U进行热处理，以生成所有系统的磷酸盐相（LnP 3 O 9或UP 2 O

  DOI：

  10.1021/acs.inorgchem.0c02428

文献信息

• The Effect of Different Neutral Ligands on Photoluminescence and Electroluminescence Properties of Ternary Terbium Complexes
  作者：Hao Xin、Mei Shi、Xi Cun Gao、Yan Yi Huang、Ze Liang Gong、Dao Bo Nie、Hong Cao、Zu Qiang Bian、Fu You Li、Chun Hui Huang

  DOI：10.1021/jp037816h

  日期：2004.7.1

  Three terbium complexes Tb(tba-PMP)(3)(TPPO) (A), Tb(tba-PMP)(3)(H2O) (B), and Tb(tba-PMP)(3)(Phen) (C) (where tba-PMP, TPPO, and Phen stand for beta-diketone 1-phenyl-3-methyl-4-(tert-butylacetyl)-5-pyrazolone, triphenyl phosphine oxide, and 1,10-phenanthroline, respectively) with different neutral ligands were synthesized and characterized, and the mechanism of how the neutral ligands affect photoluminescence (PL) and electroluminescence (EL) properties of terbium complexes was studied. Experiments revealed neutral ligand TPPO and Phen strongly affect the terbium complex PL intensity, TPPO enhanced the PL intensity of complex A, while Phen reduced the PL intensity of complex C compared to that of complex B. Investigation indicated this is caused by the different excited energy levels between tba-PMP, TPPO, and Phen, which were obtained from their phosphorescence spectra measured with their corresponding gadolinium complexes Gd(tba-PMP)(3)(H2O)(EtOH), Gd(TPPO)(2)(NO3)(3), and Gd(Phen)(2)(NO3)(3), Compared to complex B, the energy absorbed by TPPO can be efficiently transferred to tba-PMP and the central ion Tb3+ due to its excited singlet and triplet energy levels matching that of tba-PMP and the D-5(4) energy level of Tb3+, and consequently enhancing the PL intensity of A, while on the contrary, negative energy transfer occurred between Phen and tab-PMP or Tb3+ since the triplet energy level of Phen is lower than that of tba-PMP and the D-5(4) energy level of Tb3+ as well. Experimental results show terbium complex electroluminescence (EL) is greatly dependent on its PL intensity, the performance achieved based on complexes A, B, and C being 9540 cd/m(2) and 7.2 lm/W, 3230 cd/m(2) and 1. 17 lm/W, and 690 cd/m(2) and 0.13 lm/W, respectively, with the power efficiency ratio A:B:C 55:9:1, which was greatly enlarged compared to their PL intensity ratio A:B:C = 2.1:1.3:1.
• Organophosphorus-Modified Lanthanide Nitrates as Potential Actinide Oxide Aerosol Surrogates
  作者：Timothy J. Boyle、Xavier J. Robinson、Fernando Guerrero、Diana Perales、Joshua A. Hubbard、Roger E. Cramer

  DOI：10.1021/acs.inorgchem.0c02428

  日期：2020.12.7

  nitrate hydrates ([Ln(κ2-NO3)3·nH2O]) were dissolved in the presence of tributylphosphate (O═P(O(CH2)3CH3)3) referred to as TBP) in kerosene or triphenylphosphate (O═P(O(C6H5) referred to as TPhP) in acetone. The crystal structure of the TPhP derivatives of the lanthanide nitrate series and uranium nitrate were solved as [Ln(κ2-NO3)3(TPhP)3] (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu)

  在搜索用于从钚铀氧化还原萃取（PUREX）处理烧伤，一系列硝酸镧系元素水合物（[LN（气雾剂铀废产物合适的模拟物的κ 2 - NO 3）3 · Ñ ħ 2 O]）溶解在存在煤油中的磷酸三丁酯（O═P（O（CH 2）3 CH 3）3）称为三丁酸酯或丙酮中的磷酸三苯酯（O═P（O（C 6 H 5）称为TPhP））的晶体结构硝酸镧系和铀硝酸的TPhP衍生物就解决了为[LN（κ 2 - NO3）3（TPhP）3 ]（LN =的La，Ce的，镨，钕，钐，铕，钆，铽，镝，何，铒，的Tm，镱，路）和[U（O）2（κ 2 - NO 3）2（TPhP）2 ]（U）。镧系元素-TBP，Ln和U使用FTIR光谱，31 P NMR光谱，热重分析和X射线荧光光谱进一步表征。此外，通过PXRD分析发现使用箱式炉模拟热解条件对镧系元素TBP，Ln和U进行热处理，以生成所有系统的磷酸盐相（LnP 3 O 9或UP 2 O

表征谱图