Eu(hydrotris(3,5-dimethylpyrazolyl)borate)2 | 171672-52-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Eu(hydrotris(3,5-dimethylpyrazolyl)borate)2
• 英文别名: europium(II) hydrotris(3,5-dimethylpyrazolyl)borate；[Eu(TpMe2)2]；[Eu(HB(3,5-Me2pz)3)2]；Europium(2+);tris(3,5-dimethylpyrazol-1-yl)boranuide
• CAS: 171672-52-9
• 化学式: C₃₀H₄₄B₂EuN₁₂
• 分子量: 746.342
• InChiKey: QILTWTAXOZGRPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.58
• 重原子数：
  45
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  107
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Eu(hydrotris(3,5-dimethylpyrazolyl)borate)2 、 europium(II) hydrotris(3,5-dimethylpyrazolyl)borate p-benzoquinone 以 not given 为溶剂， 以0%的产率得到europium(II) hydrotris(3,5-dimethylpyrazolyl)borate p-benzoquinone dimetallic complex
  参考文献：
  名称：

  Organo-f-element chemistry with multidentate nitrogen ligands

  摘要：

  Sm(Tp(Mc2)), undergoes one-electron-transfer reactions with a variety of reagents leading to mono- or dimetallic compounds, depending on the ligands. Reaction of Sm(Tp(Me2))(2) with fluorenone, benzophenone, benzaldehyde azine and phenantrenequinone gives monomeric Sm(Tp(Mc2))(2)X compounds. The radical anion nature of the coordinating ligands has been established by NMR and X-ray structural analysis. Reaction of Sm(Tp(Me2))(2) with less bulky ligands such as benzaldehyde or pyrazine leads to dimetallic [Sm(Tp(Me2))(2)](2)[mu-Y] compounds, where Y is the dianion formed by C-C coupling of two reductively eliminated ligands. The synthesis and reactivity of mono-ligated ytterbium(II) compounds with the sterically demanding Tp(Ms,R) (Tp(Ms,R)=[HB(3-Ms,5-Rpz)(3)]; Ms=mesityl, R=H, Me) and TPMs,R+ (Tp(Ms,R+) =[HB(3-Ms,5-Rpz)(2)(3-R,5-Mspz)]) ligands is also described. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0925-8388(02)00306-7
• 作为产物：
  描述：

  三(3,5-二甲基-1-吡唑基)硼氢化钾 、 europium(III) trifluoromethanesulfonate 在 sodium amallgam 作用下， 以 四氢呋喃 为溶剂， 以66%的产率得到Eu(hydrotris(3,5-dimethylpyrazolyl)borate)2
  参考文献：
  名称：

  Synthesis and Structural Comparison of a Series of Divalent Ln(Tp^R,R‘)₂ (Ln = Sm, Eu, Yb) and Trivalent Sm(Tp^Me₂)₂X (X = F, Cl, I, BPh₄) Complexes

  摘要：

  Reaction of LnI(2) (Ln = Sm, Yb) with two equivalents of NaTp(Me2) or reduction of Eu(Tp(Me2))(2)OTf gives good yields of the highly insoluble homoleptic Ln(II) complexes, Ln(Tp(Me2))(2) (Ln = Sm (1a), Yb (2a), Eu (3a)). Use of the additionally 4-ethyl substituted Tp(Me2,4Et) ligand produces the analogous, but soluble Ln(Tp(Me2,4Et))2 (1-3b) complexes. Soluble compounds are also obtained with the Tp(Ph) and Tp(Tn) ligands (Tn = thienyl), Ln(TpPh)(2) (Ln = Sm, Ic; Yb, 2c) and Ln(Tp(Tn))(2) (Ln = Sm, Id; Yb, 2d). To provide benchmark parameters for structural comparison the series of Sm(Tp(Me2))(2)X Complexes (X = F, 1e; Cl, 1f; Br, 1g; I, 1h; BPh4, 1j) were prepared either via oxidation of the Sm(Tp(Me2))(2) or salt metathesis from SmX3 (X = Cl, Br, I). The solid-state structures of 1-3a, 1b, 1-2c and le, 1f, 1h, and 1j were determined by single-crystal X-ray diffraction. The homoleptic bis-Tp complexes are all six-coordinate with trigonal antiprismatic geometries, planes of the kappa (3)-Tp ligands are parallel to one another. In the series of Sm(Tp(Me2))(2)X Complexes the structure changes from seven-coordinate molecular compounds, with intact Sm-X bonds, for X = F, Cl, to six-coordinate ionic structures [Sm(Tp(Me2))(2)]X (X = I, BPh4), suitable crystals of the bromide compound could not be obtained. The dependence of the structures on the size of X is understandable in terms of the interplay between the size of the cleft that the [Sm(Tp(Me2))(2)](+) fragment can make available and the donor ability of the anionic group toward the hard Sm(III) center.

  DOI：

  10.1021/ic010325w

文献信息

• Trapping of Anionic Organic Radicals by (Tp^Me2)₂Ln (Ln = Sm, Eu)
  作者：Ângela Domingos、Irene Lopes、João C. Waerenborgh、Noémia Marques、G. Y. Lin、X. W. Zhang、Josef Takats、Robert McDonald、Anna C. Hillier、Andrea Sella、Mark R. J. Elsegood、Victor W. Day

  DOI：10.1021/ic701364k

  日期：2007.10.1

  Stoichiometric reaction of [Sm(Tp(Me2))2], 1, with a variety of reducible ketone- and quinone-type substrates gave thermally stable, isolable radical anions/ketyls in moderate to good yields. Thus reaction with benzophenone gave [Sm(Tp(Me2))(2)(OCPh2)], 2, with fluorenone [Sm(Tp(Me2))(2)(n(1)-OC13H8)], 3, and di-tert-butylparaqui none [Sm(Tp(Me2))(2)(eta(1)-OC6H2((BU)-B-t)(2)O)], 4, each of which was structurally characterized, In the case of the less-hindered benzoquinone, an unimetallic semiquinone [Sm(Tp(Me2))(2)(OC6H4O)], 5, could be isolated, although it was unstable with respect to formation of the dimetallic complex [Sm(Tp(Me2))(2)](2)(mu-OC6H4O), 6. Compound 6 was structurally characterized, as was its anthraquinone analogue [Sm(Tp(Me2))(2)](2)(mu-OC14H8O), 7. When the analogous reaction was carried out between the less-reducing [Eu(Tp(Me2))(2)] and benzoquinone, only the europium analogue of the semiquinone 5, [Eu(Tp(Me2))(2)-(OC6H4O)], 8, could be isolated. The use of the sterically hindered 3,5-di-terf-butyl-o-benzoqui none allowed isolation of [Sm(Tp(Me2))(2)(DTBSQ)], 9.
• Charge transfer salts of the lanthanides: the crystal structure of [Yb(TpMe,Me)2][TCNE]·(THF)6
  作者：Graham H. Maunder、Andrea Sella、Mark R.J. Elsegood

  DOI：10.1016/s0022-328x(00)00691-4

  日期：2001.1

  The reaction of [Ln(Tp(Me,Me))(2)] (Ln = Sm, Eu, Yb) with TCNE and TCNQ gave good yields of the expected salt [Ln(Tp(Me,Me))(2)]Y (Y = TCNE, TCNQ) as a THF solvate. The crystal structure of [Yb(Tp(Me,Me))(2)][TCNE]. (THF)(6) was determined and shows the expected salt-like formulation, but shows no significant interionic contacts. The reactions with TCNQ produced less well-defined products with evidence for interionic contacts. (C) 2001 Elsevier Science B.V. All rights reserved.