[(C5H4Me)3Y(THF)] | 93895-57-9

• 英文名称: [(C5H4Me)3Y(THF)]
• 英文别名: C₅H₃(SiMe₃)₂；[(C₅H₄Me)₃Y(THF)]；(C₅H₄Me)₃Y(THF)
• CAS: 93895-57-9
• 化学式: C₂₂H₂₉OY
• 分子量: 398.378
• InChiKey: DRPKEAVUUGPHTF-UHFFFAOYSA-N

计算性质

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

  [(C5H4Me)3Y(THF)] 、 氮 在 potassium graphite 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以15%的产率得到[(C₅H₄Me)₂(THF)Y]₂(μ-η²:η²-N₂)
  参考文献：
  名称：

  稀土二氮配合物中N–N键的拉曼光谱†

  摘要：

  拉曼光谱已经在包含还原的二氮配体的20多种不同稀土配合物的单晶上收集，以确定这些数据是否与周期性特性或相对稳定性相关。检查四种类型的配合物：[（C 5我5）2 LN] 2（μ-η 2：η 2 -N 2），1-LN，[（C 5我4 1H）2（THF）LN] 2（μ-η 2：η 2 -N 2），2-LN，[（C 5 H ^ 4 Me）的2 LN]2（μ-η 2：η 2 -N 2）， 3-LN，和{[（ME 3 Si）的2 N] 2（THF）LN} 2（μ-η 2：η 2 -N 2）， 4 -Ln。尽管每种络合物均包含形式为（N 2） 2-的侧向结合二氮配体，但X射线晶体学测定的N–N键距范围为1.088（12）至1.305（6）Å。在4-Ln中系列（Ln = Gd，Tb，Dy，Ho，Er和Tm），其1.26–1.31ÅN–N距离没有任何周期性趋势，但是发现Gd–Tm的拉曼拉伸频率随着原子的减少

  DOI：

  10.1039/c5dt04547a
• 作为产物：
  描述：

  氯化钇 、 sodium methylcyclopentadienide 在 四氢呋喃 作用下， 以 四氢呋喃 为溶剂， 以89%的产率得到[(C5H4Me)3Y(THF)]
  参考文献：
  名称：

  有机钇配合物的Yttrium-89 NMR光谱

  摘要：

  DOI：

  10.1021/om00121a022

文献信息

• Reactivity of Ln(II) Complexes Supported by (C₅H₄Me)^1– Ligands with THF and PhSiH₃: Isolation of Ring-Opened, Bridging Alkoxyalkyl, Hydride, and Silyl Products
  作者：David H. Woen、Daniel N. Huh、Joseph W. Ziller、William J. Evans

  DOI：10.1021/acs.organomet.8b00419

  日期：2018.9.24

  spectra consistent with Ln(II) complexes: an eight-line hyperfine pattern for La at g = 1.971 and a broad single line for Gd at g = 1.988. The solutions decompose within minutes, and in the La system, a decomposition product was isolated in which a molecule of THF had been reduced by two electrons and ring-opened to generate an alkoxyalkyl-bridged bimetallic La(III) complex, [K(crypt)]2[(CpMe3La)2(μ-OCH2CH2CH2CH2)]

  在2.2.2-cryptand（crypt）存在下用KC 8还原Cp Me 3 Ln（THF），1-Ln（Ln = La和Gd; Cp Me = C 5 H 4 Me ）生成深色溶液，2 -Ln，其EPR光谱与Ln（II）配合物一致：在g = 1.971时La的八线超精细图谱，在g = 1.988时Gd的宽单线。溶液在数分钟内分解，在La系统中，分离出分解产物，其中THF分子被两个电子还原并开环生成烷氧基烷基桥连的双金属La（III）络合物，[K（crypt ）] 2 [（Cp Me3 La）的2（μ-OCH 2 CH 2 CH 2 CH 2）]，3 -的La。晶体学上也表征了类似的Pr络合物3-Pr。由于分解产物不容易从类似的钇的Cp分离我3 Y（THF）/ KC 8 /隐窝反应，的溶液的组合物2-Y通过加入氢递送试剂，PhSiH的探测3，而先前据报道由三（环戊二烯基）U（II）配合物形
• Ligand Effects in the Synthesis of Ln²⁺ Complexes by Reduction of Tris(cyclopentadienyl) Precursors Including C–H Bond Activation of an Indenyl Anion
  作者：Jordan F. Corbey、David H. Woen、Chad T. Palumbo、Megan E. Fieser、Joseph W. Ziller、Filipp Furche、William J. Evans

  DOI：10.1021/acs.organomet.5b00500

  日期：2015.8.10

  The tris(cydopentadienyl) yttrium complexes Cp3Y(THF), (Cp3Y)-Y-Me(THF), Cp-3 '' Y, Cp-2 '' YCp, and Cp-2 '' YCpMe [Cp = C5H5, Cp-Me = C5H4Me, Cp '' = C5H3(SiMe3)(2)] have been treated with potassium graphite in the presence of 2.2.2-cryptand to search for more stable examples of complexes featuring the recently discovered Y2+ ion first isolated in [K(18-crown-6)][Cp-3'Y] and [K(2.2.2-cryptand)][Cp-3'Y], 1-Y (Cp' = C5H4SiMe3). Reduction of the tris(cyclopentadienyl) complexes generates dark solutions like that of 1-Y, and the EPR spectra contain doublets with g values between 1.990 and 1.991 and hyperfine coupling constants of 34-47 gauss that are consistent with the presence of Y2+. [K(2.2.2-cryptand)][Cp-2 '' YCp], 2-Y, was characterizable by X-ray crystallography. Reduction of the Cp-3 '' Gd, Cp-2 '' GdCp, and Cp-2 '' GdCpMe complexes containing the larger metal gadolinium were also examined. In each case, dark solutions and EPR spectra like that of [K(2.2.2-cryptand)][Cp-3'Gd], 1-Gd, were obtained, and [K(2.2.2-cryptand)][Cp-2 '' GdCp], 2-Gd, was crystallographically characterizable. None of the new yttrium and gadolinium complexes displayed greater stability than 1-Y and 1-Gd. Exploration of this reduction chemistry with indenyl ligands did not give evidence for +2 complexes. The only definitive information obtained from reductions of the Cp(3)(In)Ln (Cp-In = C9H7, Ln = Y, Ho, Dy) complexes was the X-ray crystal structure of K(2.2.2-cryptand)}(2)[(C9H7)(2)Dy(mu-eta(5):eta(1)-C9H6)](2)}, a complex containing the first example of the indenyl dianion, (C9H6)(2-), derived from C-H bond activation of the (C9H7)(1-) monoanion. Density functional theory analysis of these results provides an explanation for the observed hyperfine coupling constants in the yttrium complexes and for the C-H bond activation observed for the indenyl complex.