Eu(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octadionate)3*2H2O | 327177-65-1

• 分子结构分类: 有机化合物 - 有机卤素化合物
• 英文名称: Eu(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octadionate)3*2H2O
• 英文别名: Eu(fod)3*2H2O；[Eu(fod)3(H2O)2]；[Ru(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-ocatdionate)3(H2O)2]
• CAS: 327177-65-1
• 化学式: C₃₀H₃₄EuF₂₁O₈
• 分子量: 1073.52
• InChiKey: XXIZUGNHKOUROD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• 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：

  Eu(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octadionate)3*2H2O 、 4,4-二苯基-2,2-二联吡啶 以 乙醇 为溶剂， 生成 Eu(fod)3(diphenby)
  参考文献：
  名称：

  On the use of theoretical tools in the study of photophysical properties of the new Eu(fod)3 complex with diphenbipy

  摘要：

  The synthesis, characterization, spectroscopic, and fluorescence properties of Eu(fod)(3) - 2H(2)O and Eu(fod)3 - diphenbipy (fod = 6,6,7,7,8,8, 8-heptafluoro-2,2-dimethyl-3,5-octadionate,. diphenbipy = 4,4'-diphenyl-2,.2'-dipyridyl) are described. New spectroscopic studies of these complexes are presented based on theoretical and experimental analyses of the intensity parameters, Q, and Omega(4), and on the maximum splitting of the F-7(1). The geometries calculated by Sparkle/AM1 model was used to calculate the F-7(1) manifold splitting (Delta E0-1) and the intensity parameters Omega(2), Omega(4) based on the Simple Overlap Model (SOM). The reconciliation among the data from the theoretical F-7(1) manifold splitting, and the intensity parameter certifies the reliability of the models used in the theoretical calculations. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.cplett.2005.10.114

文献信息

• Emission spectra of europium(III) β-diketonate complexes with N-bases
  作者：A.K. Trikha、L.B. Zinner、K. Zinner、P.C. Isolani

  DOI：10.1016/0277-5387(96)83135-4

  日期：1996.5

  Abstract The emission spectra of several compounds of europium(III) incorporating a variety of β-diketonates and N-bases have been examined in order to obtain reliable information relating to coordination number, nature of bonding and symmetry around the lanthanide ion. It has been found that steric factors may force the polyhedron of coordination towards geometries less favorable by ligand-ligand

  摘要研究了几种掺入多种β-二酮和N-碱的of（III）化合物的发射光谱，以获得有关镧系元素离子的配位数，键合性质和对称性的可靠信息。已经发现，空间因素可能迫使配体-配体排斥使多面体朝向不那么有利的几何形状。通常，在超敏转换的强度和高或低对称性之间没有发现相关性。
• Theoretical and Experimental Spectroscopic Approach of Fluorinated Ln³⁺−β-Diketonate Complexes
  作者：Edjane R. dos Santos、Ricardo O. Freire、Nivan B. da Costa、Filipe A. Almeida Paz、Carlos A. de Simone、Severino A. Júnior、Adriano A. S. Araújo、Luiz Antônio O. Nunes、Maria E. de Mesquita、Marcelo O. Rodrigues

  DOI：10.1021/jp104038r

  日期：2010.8.5

  In this paper we report the synthesis of two new complexes, [Eu(fod)(3)(phen)] and [Tb(fod)(3)(phen)] (fod = 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octadionate and phen = 1,10-phenanthroline), and their complete characterization, including single-crystal X-ray diffraction, UV-vis spectroscopy, IR spectroscopy, and TGA. The complexes were studied in detail via both theoretical and experimental approaches to the photophysical properties. The [Eu(fod)(3)(phen)] complex crystallizes in the monoclinic space group P2(1)/c. The crystal structure of [Eu(fod)(3)(phen)] exhibits an offset pi-pi stacking interaction between the phenanthroline ligands of adjacent lanthanide complexes. The Eu3+ cation is coordinated to three fod anionic ligands and to one phen. The symmetry around Eu3+ is best described as a highly distorted square antiprism. The molar absorption coefficients of [Eu(fod)(3)(phen)] and [Tb(fod)(3)(phen)] revealed an improved ability to absorb light in comparison with the stand-alone phen and fod molecules. [Tb(fod)(3)(phen)] emits weak UV excitation, with this feature being explained by the triplet-D-5(4) resonance, which contributes significantly to the nonradiative deactivation of Tb3+, causing a short lifetime and low quantum yield. The intensity parameters (Omega(2), Omega(4), and Omega(6)) of [Eu(fod)(3)(phen)] were calculated for the X-ray and Sparkle/AM1 structures and compared with values obtained for [Eu(fod)(3)(H2O)(2)] and [Eu(fod)(3)(phen-N-O)] (phen-N-O = 1,10-phenanthroline N-oxide) samples. Intensity parameters were used to predict the radiative decay rate. The theoretical quantum efficiencies from the X-ray and Sparkle/AM1 structures are in good agreement with the experimental values, clearly attesting to the efficacy of the theoretical models.