[Y(hfac)₃(H₂O)₂] | 20860-73-5

• 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: [Y(hfac)₃(H₂O)₂]
• 英文别名: 1,1,1,5,5,5-hexafluoropentane-2,4-dione;yttrium(3+);dihydrate
• CAS: 20860-73-5
• 化学式: C₁₅H₇F₁₈O₈Y
• 分子量: 746.093
• InChiKey: VHNXKGSCJWULMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.71
• 重原子数：
  42
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  29

反应信息

• 作为反应物：
  描述：

  [Y(hfac)₃(H₂O)₂] 、 1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindol-2-yloxoyl radical 以 正庚烷 、 二氯甲烷 为溶剂， 以35%的产率得到[Y^III(hfac)₃(TMIO)₂]
  参考文献：
  名称：

  Strong exchange couplings in lanthanide complexes with an aliphatic nitroxide radical 1,1,3,3-tetramethylisoindolin-2-oxyl

  摘要：

  We prepared crystalline [REIII(hfac)(3)(TMIO)(2)] (RE = Gd, Y; abbreviated as RE-TMIO2), where TMIO and hfac stand for 1,1,3,3-tetramethylisoindolin-2-oxyl and 1,1,1,5,5,5-hexafluoropentane-2,4-dionate, respectively. Two compounds are isomorphous in a C2/c space group. The paramagnetic TMIO ligand serves as an O-donor, and there are two TMIO moieties related with twofold symmetry in each molecule. The discrete molecular system guarantees the three- or two-centered exchange-coupling model. Magnetic study clarified that Gd-TMIO2 behaved as a ground S-total = 5/2 species with the intramolecular exchange couplings 2J(Gd-TMIO)/k(B) = -12.5(4) K and 2J(TMIO-TMIO)/kB = -27(2) K from an isosceles triangle model. Superexchange interaction across the diamagnetic Y ion was characterized in Y-TMIO2 with 2J(TMIO-TMIO)/k(B) = -21.3(2) K from the singlettriplet model. DFT calculation on Y-TMIO2 and a series of model compounds involving Rb+, Sr2+, Y3+, and Zr4+ suggests a possible mechanism involving ligand-to-metal charge transfer interaction for the relatively strong radicalradical couplings. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2014.11.035
• 作为产物：
  描述：

  六氟乙酰丙酮 、 yttrium(III) chloride hexahydrate 在 氨 作用下， 以 水 、 乙醚 为溶剂， 反应 0.5h， 以75%的产率得到[Y(hfac)₃(H₂O)₂]
  参考文献：
  名称：

  P（III）和钇（III）与吡啶取代的一氧化氮亚硝基自由基和不同的β-二酮酸酯配体的配合物 晶体结构以及磁和发光性能

  摘要：

  硝酰基硝基氧自由基2-（2-吡啶基）-4,4,5,5-四甲基-4,5-二氢1 H-咪唑基-1-氧-3-氧化物（NIT2Py）的ter（III）络合物，[合成了Tb（acac）3NIT2Py]·0.5H 2 O（3）（acac =乙酰丙酮）与先前报道的[Tb（hfac）3 NIT2Py]·0.5C 7 H 16（1）（hfac =六氟乙酰丙酮） ，以及它们的钇类似物[Y（hfac）3 NIT2Py]·0.5C 7 H 16（2）和[Y（acac）3 NIT2Py]·0.5H 2 O（4）。晶体结构表明，在所有配合物中，硝酰基硝基氧自由基起螯合配体的作用。磁性研究表明，像1的3表现出在低温下磁化的缓慢弛豫，表明单分子磁体的行为。发光光谱显示了解析的振动电子结构，其主间隔在80至300 K之间从1600 cm –1减小到1400 cm –1。使用实验拉曼频率对该影响进行了定量分析。

  DOI：

  10.1021/ic500779y

文献信息

• Role of the Ancillary Ligand <i>N</i>,<i>N</i>-Dimethylaminoethanol in the Sensitization of Eu^III and Tb^III Luminescence in Dimeric β-Diketonates
  作者：Svetlana V. Eliseeva、Oxana V. Kotova、Frédéric Gumy、Sergey N. Semenov、Vadim G. Kessler、Leonid S. Lepnev、Jean-Claude G. Bünzli、Natalia P. Kuzmina

  DOI：10.1021/jp711305u

  日期：2008.4.1

  NHMe2)2] and [Ln(thd)2(mu2,eta2-O(CH2)2NMe2)]2 (Ln = YIII, EuIII, GdIII, TbIII, TmIII, LuIII; hfa- = hexafluoroacetylacetonato, thd- = dipivaloylmethanato) are obtained by reacting [Ln(hfa)3(H2O)2] and [Ln(thd)3], respectively, with N,N-dimethylaminoethanol in toluene and are fully characterized. X-ray single crystal analysis performed for the TbIII compounds confirms their dimeric structure. The coordination

  两种二聚体复合物[Ln2（hfa）6（mu2-O（CH2）2NHMe2）2]和[Ln（thd）2（mu2，eta2-O（ ）2NMe2）] 2（Ln = YIII，EuIII，GdIII ，TbIII，TmIII，LuIII； hfa- =六氟乙酰丙酮，thd- =二新戊酰基甲酰氨基）分别通过[Ln（hfa）3（H2O）2]和[Ln（thd）3]与N，N-二甲基氨基乙醇的反应制得并具有充分的特征。对TbIII化合物进行的X射线单晶分析证实了其二聚体结构。N，N-二甲基氨基乙醇的配位方式取决于β-二酮酸酯的性质。在[Tb2（hfa）6（mu2-O（ ）2NHMe2）2]中，八配位的TbIII离子采用扭曲的方形反棱柱配位环境，并被两个带有Tb1的两性离子N，N-二甲基氨基乙醇配体O桥。 Tb2分离为3.684（1）A。在[Tb（thd）2（mu2，eta2-O（ ）2NMe2）] 2中，N
• Doubly TEMPO-coordinated gadolinium(<scp>iii</scp>), lanthanum(<scp>iii</scp>), and yttrium(<scp>iii</scp>) complexes. Strong superexchange coupling across rare earth ions
  作者：Rina Murakami、Takeshi Nakamura、Takayuki Ishida

  DOI：10.1039/c3dt53586j

  日期：——

  The X-ray crystal structure of TEMPO-coordinated lanthanide compounds was determined for the first time. The magnetic study clarified that [Gd(hfac)₃(TEMPO)₂] behaved as a ground S_total = 7/2 species. The La and Y analogues showed the superexchange interactions across the diamagnetic ions.

  TEMPO配位的稀土化合物的X射线晶体结构首次被确定。磁学研究表明[Gd（hfac）₃（TEMPO）₂]表现为一个基态S_total = 7/2的物种。镧和钇的类似物显示了穿过非磁性离子的超交换相互作用。
• Rare-Earth (RE = Y, Gd, Tb, Dy, Ho, and Er) Chains Bridged with a Triplet Biradical and Magnetic Hysteresis Recorded for RE = Tb
  作者：Saki Ito、Rina Takano、Shin-ichi Hatanaka、Takayuki Ishida

  DOI：10.1021/acs.inorgchem.2c01107

  日期：2022.7.18

  formation of 5-tert-butyl-1,3-phenylene bis(tert-butyl nitroxide) and rare-earth (RE) metal ions gave a linear chain where each nitroxide O atom is directly bonded to the RE ion. The bridge was proven to be a ground triplet molecule in the complexes. A hysteresis loop was recorded below 2.8 K as a single-chain magnet for the RE = Tb derivative.

  5-叔丁基-1,3-亚苯基双(叔丁基硝基氧)和稀土(RE)金属离子的络合物形成形成直链，其中每个硝基氧O原子直接与RE离子键合。该桥被证明是复合物中的地面三重态分子。在 2.8 K 以下记录了一个磁滞回线，作为 RE = Tb 导数的单链磁体。
• Hierarchical Self‐Assembly of Luminescent Eu ^III Complexes on Silicon
  作者：Kasjan Misztal、Cristina Tudisco、Andrea Sartori、Joanna M. Malicka、Riccardo Castelli、Guglielmo G. Condorelli、Enrico Dalcanale

  DOI：10.1002/ejic.201402117

  日期：2014.6

  AbstractWe have combined the metal‐coordinating features of phenanthroline with the remarkable complexing properties of tetraphosphonate (Tiiii) cavitands towards N‐methylammonium salts with the aim of assembling novel luminescent ternary complexes. The formation of such complexes was first tested in solution: the charged sarcosine derivative 1, bearing a phenanthroline moiety, was complexed by the cavitand Tiiii‐A, followed by coordination of EuIII–tris(β‐diketonate) complex 2. The occurrence of the self‐assembly has been proven by NMR spectroscopy, mass spectrometry and photophysical measurements. The transfer of this binding protocol to the surface showed the complete orthogonality of these interactions, as verified by control experiments on complexation‐inactive surfaces. The formation of the ternary complexes on the silicon surface was monitored by means of X‐ray photoelectron spectroscopy and luminescence spectroscopy. The emission properties of the silicon‐bound Si‐Tiiii‐B·1·2 and the corresponding ternary complex Tiiii‐A·1·2 in solution are similar, which indicates that the transfer of the self‐assembly process onto silicon does not significantly perturb the EuIII coordination environment. The self‐assembly protocol illustrated here can be extended to a wide variety of lanthanide ions and can be implemented for applications in sensing, bioimaging and optoelectronic devices.
• Kuz'mina; Kupriyanova; Troyanov, Russian Journal of Coordination Chemistry, 2000, vol. 26, # 5, p. 367 - 372
  作者：Kuz'mina、Kupriyanova、Troyanov

  DOI：——

  日期：——