diaquatris(hexafluoroacetylacetonato)gadolinium(III) | 20558-32-1

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 英文名称: diaquatris(hexafluoroacetylacetonato)gadolinium(III)
• 英文别名: tris(1,1,1,5,5,5-hexafluoropentane-2,4-dionata)diaquagadolinium；tris(hexafluoroacetylacetonate)diaquagadolinium(III)；[tris(hexafluoroacetylacetonato)diaqua]Gd(III)；Gd(hexafluoroacetylacetonate)(H2O)2；[Gd(1,1,1,5,5,5-hexafluoropentane-2,4-dionate)₃(H₂O)₂]；Gd(1,1,1,5,5,5-hexafluoropentane-2,4-dionate)₃(H₂O)₂
• CAS: 20558-32-1；1133073-78-5
• 化学式: C₁₅H₇F₁₈GdO₈
• 分子量: 814.437
• InChiKey: CAVCWCFFDOIVSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  N,N'-二氧化-2,2'-联吡啶 、 diaquatris(hexafluoroacetylacetonato)gadolinium(III) 以 苯 为溶剂， 生成 [Gd(hexafluoroacetylacetonate)3(2,2'-bipyridine-N,N'-dioxide)]
  参考文献：
  名称：

  Deciphering Three Beneficial Effects of 2,2′-Bipyridine-N,N′-Dioxide on the Luminescence Sensitization of Lanthanide(III) Hexafluoroacetylacetonate Ternary Complexes

  摘要：

  Lanthanide hexafluoroacetylacetonate ternary complexes with 2,2'-bipyridine-N,N'-dioxide, [Ln(hfa)(3)(bpyO2)], were synthesized for Ln = Eu, Gd, Tb, and Lu and fully characterized by elemental, thermal, and mass-spectrometric analyses. The X-ray crystal structure of [Eu(hfa)(3)(bpyO2)] center dot 0.5C(6)H(6) reveals an octa-coordinate metal ion lying in a severely distorted trigonal dodecahedron geometry; the Eu-O distances lie in the range 2.36-2.44 angstrom with no significant difference between hfa and bpyO2. angstrom detailed comparative photophysical investigation has been carried out to determine the exact influence of the introduction of bpyO2 in the inner coordination sphere of the metal ion in replacement of the two water molecules in [Ln(hfa)(3)(H2O)(2)]center dot While this replacement is detrimental for Tb, it leads to a 15-fold increase in the overall quantum yield for Eu. This large improvement originates from (i) a better sensitization efficiency, the ancillary ligand being responsible for 3/4 of the energy transfer, (ii) elimination of nonradiative deactivation pathways through'harmonics of O-H vibrations, and (iii) reduction in the radiative lifetime. The latter influence is rarely documented, but it accounts here for a approximate to 25% increase in the intrinsic quantum yield, so that more attention should be given to this parameter when designing highly luminescent lanthanide complexes.

  DOI：

  10.1021/ic200450x
• 作为产物：
  描述：

  gadolinium(III) chloride hexahydrate 、 1,1,1,5,5,5-hexafluoro-4-hydroxy-pent-3-en-2-one 在 potassium tert-butylate 作用下， 以40%的产率得到diaquatris(hexafluoroacetylacetonato)gadolinium(III)
  参考文献：
  名称：

  Preparation and photophysical studies of [Ln(hfac)3DPEPO], Ln = Eu, Tb, Yb, Nd, Gd; interpretation of total photoluminescence quantum yields

  摘要：

  [Ln(hfac)3DPEPO] 配合物的合成与光物理表征（其中 Ln = Eu、Tb、Yb、Nd、Gd）已完成，旨在研究导致这一系列发光镧系配合物总光致发光量子产率变化的因素。通过电子吸收和发射光谱技术，结合Eu配合物激发态的DFT计算，阐明了每个配体通过天线效应在镧系元素敏化中的作用。[Gd(hfac)3DPEPO] 的X射线晶体结构已被确定，显示Gd周围为八配位环境，并包含涉及DPEPO配体的十元螯合环。总光致发光量子产率分别为：Ln = Tb、Nd和Yb时，产率为6%、1%和2%，而Ln = Eu时约为80%。与Eu相比，Nd和Yb的量子产率较低，这归因于配体内部高能振荡对激发态Ln更有效的淬灭作用，而Tb的量子产率较低则是由于从配体激发态到Tb的能量转移效率低下以及辐射寿命较长共同导致的。

  DOI：

  10.1039/c3dt51380g

文献信息

• Heterododecanuclear Pt₆Ln₆(Ln = Nd, Yb) arrays of 4-ethynyl-2,2′-bipyridine with sensitized near-IR lanthanide luminescence by Pt → Ln energy transfer
  作者：Hai-Bing Xu、Li-Yi Zhang、Zai-Lai Xie、En Ma、Zhong-Ning Chen

  DOI：10.1039/b703135a

  日期：——

  Heterododecanuclear Pt6Ln6 (Ln = Nd, Yb) complexes of 4-ethynyl-2,2′-bipyridine (HCCbpy), prepared using emissive Pt(Me3SiCCbpy)(CCbpy)2 as an alkynyl bridging “ligand”, afford sensitized near-infrared (NIR) lanthanide luminescence by Pt → Ln energy transfer from both Pt(bpy)(acetylide)2 and Pt2(dppm)2(acetylide)2 chromophores.

  以4-乙炔基-2,2'-联吡啶(HCCbpy)为配体，使用发光性的Pt(Me3SiCCbpy)(CCbpy)2作为炔基桥连"配体"，制备了异核十二核Pt6Ln6 (Ln = Nd, Yb)配合物。通过Pt→Ln能量转移，从Pt(bpy)(乙炔基)2和Pt2(dppm)2(乙炔基)2发色团实现了镧系离子的近红外发光敏化。
• The Role of Blue‐Emissive 1,8‐Naphthalimidopyridine <i>N</i> ‐Oxide in Sensitizing Eu ^III Photoluminescence in Dimeric Hexafluoroacetylacetonate Complexes
  作者：Zhao Wang、NanNan Liu、Hongfeng Li、Peng Chen、Pengfei Yan

  DOI：10.1002/ejic.201700019

  日期：2017.4.18

  new fluorescence molecules incorporating coordinated pyridine N‐oxide (PyNO) and the blue‐emitting 1,8‐naphthalimide (NI) chromophores, 4‐(1,8‐naphthalimido)pyridine N‐oxide (4‐NIPyNO) and 3‐(1,8‐naphthalimido)pyridine N‐oxide (3‐NIPyNO), are designed and used as ancillary ligands for constructing mixed‐ligand tris(β‐diketonate) lanthanide complexes, Ln2(hfa)6(4‐NIPyNO)2 and Ln2(hfa)6(3‐NIPyNO)3 (Ln

  两个新的荧光分子结合了配位吡啶N-氧化物（PyNO）和发蓝色光的1,8-萘二甲酰亚胺（NI）生色团，4-（1,8-萘二甲酰亚胺）吡啶N-氧化物（4-NIPyNO）和3-（ 1,8-萘二甲酰亚胺基）吡啶N-氧化物（3-NIPyNO）被设计用作构建配体三（β-二酮酸）镧系元素复合物Ln 2（hfa）6（4-NIPyNO）2和Ln 2（hfa）6（3-NIPyNO）3（Ln = Eu，Gd; hfa =六氟乙酰丙酮）X射线单晶衍射晶体学分析表明，所有配合物均采用二聚双核结构。在每种情况下，两个Ln IIILn（hfa）3部分的离子被4-NIPyNO和3-NIPyNO的N-氧化物基团的氧原子桥接。发光量子产率实验表明，辅助配体的引入导致Eu III离子具有比水合Eu（hfa）3（H 2 O）2发光增强约13倍的发光增强。进行了详细的光物理测定，以深入了解NIPyNO配体在增强Eu III中的作用发
• Dual Luminescent Dinuclear Gold(I) Complexes of Terpyridyl‐Functionalized Alkyne Ligands and Their Efficient Sensitization of Eu ^III and Yb ^III Luminescence
  作者：Xiu‐Ling Li、Ke‐Juan Zhang、Juan‐Juan Li、Xin‐Xin Cheng、Zhong‐Ning Chen

  DOI：10.1002/ejic.201000324

  日期：2010.8

  quantum yields of Au 2 Ln 2 (Ln = Eu, Yb) solutions show that the energy transfer occurs efficiently from the binuclear gold(I) antennas 1-5 to Eu III and Yb III centers, and all complexes 1-5 are good energy donors for sensitization of visible and NIR luminescence of Eu III and Yb III ions.

  1 Ln(β-diketonate) 3 (Ln = Eu, Yb) 单元与配合物 1 部分之间的比率，表明形成了 Au 2 Ln 2 配合物。Au 2 Ln 2 (Ln = Eu, Yb)溶液的发光滴定和发光量子产率表明，能量从双核金(I)天线1-5到Eu III和Yb III中心有效转移，并且所有配合物 1-5 是用于敏化 Eu III 和 Yb III 离子的可见光和 NIR 发光的良好能量供体。
• Electronic strain effect on Eu(<scp>iii</scp>) complexes for enhanced circularly polarized luminescence
  作者：Makoto Tsurui、Yuichi Kitagawa、Koji Fushimi、Masayuki Gon、Kazuo Tanaka、Yasuchika Hasegawa

  DOI：10.1039/d0dt00699h

  日期：——

  the hfa ligands in [Eu(hfa)3((R,R)-B2QPO)]. The emission quantum yields of [Eu(hfa)3((R,R)-B2QPO)] in solution (55%) and solid (63%) are comparable to those of previously reported bright luminescent Eu(iii) complexes. The chiroptical properties of [Eu(hfa)3((R,R)-B2QPO)] and [Eu(hfa)3((R)-B3QPO)] were characterized using circular dichroism (CD) and circularly polarized luminescence (CPL) spectra. The

  具有点手性氧化膦配体[Eu（hfa）3（（R，R）-B2QPO）]的发光Eu（iii）配合物（hfa：六氟乙酰丙酮，B2QPO：2,3-双（叔丁基甲基氧化膦）喹喔啉）和[Eu（hfa）3（（R）-B3QPO）]（B3QPO：2-叔丁基甲基氧化膦-3-（二叔丁基氧化膦）喹喔啉）被报道用于研究电子应变对配位的影响领域。单晶X射线晶体学显示[Eu（hfa）3（（R，R）-B2QPO）]中hfa配体的强结构应变。溶液（55％）和固体（63％）中[Eu（hfa）3（（R，R）-B2QPO）]的发射量子产率与先前报道的明亮发光Eu（iii）配合物相当。[Eu（hfa）3（（R，R）-B2QPO）]和[Eu（hfa）3（（R）-B3QPO）]用圆二色性（CD）和圆偏振发光（CPL）光谱表征。[Eu（hfa）3（（R，R）-B2QPO）]的不对称因子估计为0.08。Eu（iii）配合物的手性现象与它们的结
• Structural and Photophysical Studies on Geometric (Er₂Yb₂/Yb₂Er₂) and Configurational (EuTb₃/Eu₃Tb) Isomers of Heterotetranuclear Lanthanide(III) Complexes
  作者：Hai-Bing Xu、Jian-Guo Deng、Li-Yi Zhang、Zhong-Ning Chen

  DOI：10.1021/cg3015546

  日期：2013.2.6

  Heterotetranuclear geometrical (Er2Yb2/Yb2Er2) and configuational (EuTb3/Eu3Tb) isomeric lanthanide(III) complexes have been synthesized and characterized by spectroscopy as well as X-ray crystallography. The geometric Er2Yb2/Yb2Er2 isomers exhibit dual emissions from both erbium(III) and ytterbium(III) ions. For the EuTb3/Eu3Tb configurational isomers, the TbIII subunits transfer energy to the EuIII

  合成了四核几何（Er 2 Yb 2 / Yb 2 Er 2）和构型（EuTb 3 / Eu 3 Tb）异构体镧系元素（III）配合物，并通过光谱学和X射线晶体学对其进行了表征。几何Er 2 Yb 2 / Yb 2 Er 2异构体显示出from（III）和（III）离子的双重发射。对于EuTb 3 / Eu 3 Tb构型异构体，Tb III亚基将能量转移到EuTb 3络合物中的Eu III中心，而TbTbEu 3络合物中的III离子主要用作结构稳定剂。