tri(cyclopentadienyl)erbium

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: tri(cyclopentadienyl)erbium
• 英文别名: Cp3Er；ErCp₃；tris(cyclopentadienyl) erbium；Tris(cyclopentadienyl)erbium(III), 99.99% trace metals basis
• 化学式: C₁₅H₁₅Er
• 分子量: 362.544
• InChiKey: PZZJDXSEOYCOQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.06
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  2-甲基四氢呋喃 、 tri(cyclopentadienyl)erbium 以 neat (no solvent) 为溶剂， 生成 (η5-Cp)3Er*MeTHF
  参考文献：
  名称：

  Electronic structures of organometallic complexes of f elements. LIII. Comparison of the experimental spectroscopic splitting factors of a magnetically diluted tetrahydrofuran adduct derived from tris(η5-cyclopentadienyl)erbium with calculated values based on wavefunctions obtained from a parametric analysis of the absorption spectrum

  摘要：

  The absorption spectrum of (eta(5)-Cp)(3)Er.MeTHF (1) has been measured at room and low temperatures. Fitting the experimental energy levels to those obtained by the diagonalization of the energy matrices obtained from a parametric Hamiltonian resulted in 47 crystal field assignments with an r.m.s. deviation of 27.6 cm(-1). The averaged values of the spectroscopic splitting factors \g(parallel to)\=8.07 and \g(perpendicular to)\=4.41 (extracted from the 2.6 K electron paramagnetic resonance spectrum Of Cp3La0.945Er0.055.THF (2)) could be reproduced in a satisfactory manner with the wavefunction of the CF ground state obtained from these calculations. Also the experimentally determined temperature dependence of mu(eff)(2) of the powdered complex 1 could be simulated by using the calculated wavefunctions and eigenvalues. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01336-1
• 作为产物：
  描述：

  环戊二烯铊 以67%的产率得到
  参考文献：
  名称：

  DEACON, G. B.;KOPLICK, A. J.;TUONG, T. D., AUSTRAL. J. CHEM., 1984, 37, N 3, 517-525

  摘要：

  DOI：

文献信息

• Polynuclear Heteroligand Yb(III)–Er(III) Complexes as Potential Upconversion Materials
  作者：T. V. Balashova、E. V. Baranov、G. K. Fukin、V. A. Ilichev、I. D. Grishin、A. N. Yablonskiy、B. A. Andreev、M. N. Bochkarev

  DOI：10.1134/s107032841909001x

  日期：2019.10

  for the preparation of heteroligand bimetallic complexes, is described. The structures of YbI(C6F5O)2(DME)2 (I), CpEr(C6F5O)2(DME)[(C2H5)2O] (III), and CpYb(SONF)2(DME) (VI) were established by X-ray diffraction (CIF files CCDC (nos. 1902963 (I), 1902964 (III), and 1902965 (VI)). The developed methods were used to prepare heteroligand bimetallic Yb(III)–Er(III) complexes (C6F5O)2Yb[µ-(CF3)2CHO]2Er(C6F5O)2

  摘要配合物LnI（C 6 F 5 O）2和LnCp（L）2（Ln = Er，Yb; L = C 6 F 5 O，SON F）的合成，它们是制备杂配体双金属配合物的方便前体，描述。YbI（C 6 F 5 O）2（DME）2（I），CpEr（C 6 F 5 O）2（DME）[（C 2 H 5）2 O]（III）和CpYb（SON）的结构F）2（DME）（VI）是通过X射线衍射建立的（CIF文件CCDC（编号1902963（I），1902964（III）和1902965（VI）））。复合物（C 6 ˚F 5 O）2镱[μ-（CF 3）2 CHO] 2尔（C 6 ˚F 5 O）2和（SON ˚F）2镱[μ-（CF 3）2 CHO] 2 - Er（SON F）2 } x，显示出Yb 3+和Er 3+离子λem分别为985和1540 nm时固有的金属中心发射。这表明所获得的化合物可以用作有前途的上转换材料。
• Lanthanide-Induced Diinsertion of Isocyanates into the N−H Bond: Synthesis, Structure, and Reactivity of Organolanthanides Containing Diureido Ligands
  作者：Yan Sun、Zhengxing Zhang、Xu Wang、Xiaoqing Li、Linhong Weng、Xigeng Zhou

  DOI：10.1021/om900631j

  日期：2009.11.9

  Treatment of [Cp2LnNHPy]2 (Py = 2-pyridyl) (1) with 4-nitrophenyl isocyanate gives the unexpected complexes Cp2Ln[η2:η1-PyNCON(C6H4NO2-4)CONHC6H4NO2-4] (Ln = Yb (5a), Er (5b)) as the main product regardless of the equivalency of isocyanate reagent employed. The more bulky isocyanate (2,6-iPr2C6H3NCO) also undergoes double insertion into 1, affording Cp2Ln[η2:η1-PyNCON(C6H3iPr2-2,6)CONHC6H3iPr2-2,6]

  [Cp的治疗2 LnNHPy] 2（PY = 2-吡啶基）（1）与4-硝基苯基异氰酸酯给出了意想不到的Cp络合物2 LN [η 2：η 1 -PyNCON（C 6 H ^ 4 NO 2 -4）CONHC 6 H 4 NO 2 -4]（Ln ＝ Yb（5a），Er（5b））为主要产物，与所使用的异氰酸酯试剂的当量无关。更笨重的异氰酸酯（2,6-我镨2 ç 6 ħ 3 NCO）也经历双重插入1，得到的Cp 2 LN [η 2：η 1 -PyNCON（C 6 H ^ 3我镨2 -2,6）CONHC 6 H ^ 3我镨2 -2,6]（Ln为镱（图6a），铒（6B） ）。的反应1与4当量的CLCH 2 CH 2 CH 2 NCO得到的Cp 2 LN [η 2：η 1 -PyNCON（CH 2 CH 2 CH 2 Cl）的CONH（CH 2）3 CL]（Ln为镱（7a中），Er（7b））的良率。此外，[（C
• Synthesis, structural characterization, and reactivity of the ethyl substituted aluminum hydroxide and catalytic properties of its derivative
  作者：Ying Yang、Prabhuodeyara M. Gurubasavaraj、Hongqi Ye、Zhensheng Zhang、Herbert W. Roesky、Peter G. Jones

  DOI：10.1016/j.jorganchem.2007.08.032

  日期：2008.4

  The ethyl substituted aluminum hydroxide LAlEt(OH) (2; L = HC[C(Me)N(Ar)]2; Ar = 2,6-iPr2C6H3) was prepared by the hydrolysis of LAlEt(Cl) (1) in the presence of a N-heterocyclic carbene. The reaction of 2 with Cp2ZrMe2 in toluene afforded LAlEt(μ-O)ZrMeCp2 (3) by evolution of methane, while the reaction of 2 with Cp3M in THF led to the intermolecular elimination of HCp and formation of LAlEt(μ-O)M(THF)Cp2

  通过水解LAlEt（Cl）制备乙基取代的氢氧化铝LAlEt（OH）（2 ; L = HC [C（Me）N（Ar）] 2 ; Ar = 2,6- i Pr 2 C 6 H 3） （1）在N-杂环卡宾的存在下。的反应2再用CP 2 ZrMe 2在甲苯中，得到LAlEt（μ-O）ZrMeCP 2（3）通过甲烷的演变，而反应2再用CP 3，在THF中导致HCP的分子间消除和形成LAlEt （μ-O）M（THF）CP 2（M = Yb，4 ; Er，5；Dy，6；Y，7）。通过单X射线结构分析表征化合物2和3。化合物2在正交空间群P 2 1 2 1 1 2 1中结晶，而化合物3在空间群Pnma中结晶。在这两种情况下，都可以在船形结构中观察到Al和γ-C原子从NCCN平面移出，但方向相反。此外，化合物3用作乙烯聚合的催化剂。
• Synthesis and controlled hydrolysis of organolanthanide complexes with mono- and dianionic benzimidazole-2-thiolate ligands
  作者：Ruiting Liu、Xiaoqing Li、Houcai Zhang、Linhong Weng、Xigeng Zhou

  DOI：10.1039/c0dt00129e

  日期：——

  Treatment of Cp3Er with one equivalent of benzimidazole-2-thiol (H2Bzimt) in THF affords the monoanionic HBzimt− complex Cp2Er(η2-HBzimt)(THF)2 (1). Reaction of Cp3Yb with two equivalents of H2Bzimt gives complex CpYb(η2-HBzimt)2(THF) (2) at room temperature. Treatment of Cp3Ln with three equivalents of H2Bzimt in reflux THF affords the homoleptic Ln(η2-HBzimt)3(THF)2 (Ln = Er (3), Y (4)). Cp3Ln reacts with 0.5 equivalents of H2Bzimt to afford the dianionic Bzimt2− complexes [(Cp2Ln)(THF)]2(μ-Bzimt) (Ln = Yb (5), Er (6), Dy (7), Y (8)) in good yields, in which the Bzimt2− ligand bridges the two metals in an μ-η2:η2 coordination mode. Interestingly, controlled hydrolysis of complexes Cp2Ln(η2-HBzimt)(THF)2, CpLn(η2-HBzimt)2(THF) and [(Cp2Ln)(THF)]2(μ-Bzimt) produces the same tetranuclear complexes [CpLn(μ3-OH)(μ-η1:η2-HBzimt)]4 (Ln = Yb (9), Er (10), Y (11)), indicating that the hydrolysis selectivity greatly depends on the number of coordinated cyclopentadienyl groups. All complexes were characterized by elemental analysis, spectroscopic properties and X-ray single crystal diffraction analysis.

  将 Cp3Er 与一当量的苯并咪唑-2-硫醇（H2Bzimt）在 THF 中处理，可得到单阴离子 HBzimt-络合物 Cp2Er(η2-HBzimt)(THF)2（1）。Cp3Yb 与两当量的 H2Bzimt 反应，在室温下得到复合物 CpYb(η2-HBzimt)2(THF)2 (2)。在回流 THF 中用三当量的 H2Bzimt 处理 Cp3Ln，可得到同色的 Ln(η2-HBzimt)3(THF)2 （Ln = Er (3)，Y (4)）。Cp3Ln 与 0.5 个等效当量的 H2Bzimt 反应，可以得到双离子 Bzimt2- 复合物 [(Cp2Ln)(THF)]2(μ-Bzimt)（Ln = Yb (5)、Er (6)、Dy (7)、Y (8)），产量很高，其中 Bzimt2- 配体以 μ-η2:η2 配位模式桥接两种金属。有趣的是，络合物 Cp2Ln(η2-HBzimt)(THF)2、CpLn(η2-HBzimt)2(THF) 和 [(Cp2Ln)(THF)]2(μ-Bzimt)的受控水解产生了相同的四核络合物 [CpLn(μ3-OH)(μ-η1：η2-HBzimt)]4 （Ln = Yb (9)、Er (10)、Y (11)），表明水解选择性在很大程度上取决于配位环戊二烯基团的数量。所有配合物都通过元素分析、光谱特性和 X 射线单晶衍射分析进行了表征。
• Synthesis and Reactivities of Guanidinate Dianion Complexes of Heterobimetallic Lanthanide−Lithium Cp₂Ln[(CyN)₂CNPh]Li(THF)₃
  作者：Pengzhi Zheng、Jianquan Hong、Ruiting Liu、Zhengxing Zhang、Zhen Pang、Linhong Weng、Xigeng Zhou

  DOI：10.1021/om9010615

  日期：2010.3.8

  The treatment of Cp3Ln with 1 equiv of N,N′-dicyclohexyl-N′′-phenylguanidine followed by reacting with butyllithium yields a series of novel guanidinate dianion complexes of heterobimetallic lanthanide−lithium with formula Cp2Ln[(CyN)2CNPh]Li(THF)3 (Ln = Yb (1a), Er (1b), Y (1c), Dy (1d)). Reactivities of these dianionic guanidinate complexes toward various electrophiles have been investigated. Reaction

  用1当量的N，N'-二环己基-N'' -苯基胍处理Cp 3 Ln，然后与丁基锂反应，制得一系列新的杂双金属镧系-锂胍盐酸二配位化合物，分子式为Cp 2 Ln [（CyN）2 CNPh] Li（THF）3（Ln = Yb（1a），Er（1b），Y（1c），Dy（1d））。已经研究了这些双阴离子胍盐配合物对各种亲电试剂的反应性。1与Me 2 RSiCl的反应生成四取代的胍基单阴离子络合物Cp 2 Ln [（CyN）2CN（Ph）SiRMe 2 ]（（R = Me，Ln = Yb（2a），Er（2b），Y（2c）; R = t Bu，Ln = Yb（3a），Er（3b）），表示锂-N键是优选的，以耦合氯硅烷。与此相反，结合到镧系元素离子的NCY组的区域选择性官能化通过的反应来实现图1A与我2的SiCl 2，以产生我2的Si（CYN）2 C═NPh （4）和Cp 2 YbCl（THF）（5）。显着