K[1-(SiMe3)C3H4] | 629663-13-4

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: K[1-(SiMe3)C3H4]
• 英文别名: K[1-(SiMe3)2C3H4]
• CAS: 629663-13-4
• 化学式: C₆H₁₃KSi
• 分子量: 152.353
• InChiKey: ZXQCGXPRTWGUPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.01
• 重原子数：
  8.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  K[1-(SiMe3)C3H4] 、 Yb(OTf)2(THF)3 以 四氢呋喃 为溶剂， 以76%的产率得到[1-(SiMe3)C3H4]2Yb(THF)2
  参考文献：
  名称：

  Observation of Internal Electron Transfer in Bulky Allyl Ytterbium Complexes with Substituted Terpyridine Ligands

  摘要：

  A series of new bulky allyl terpyridyl-ytterbium complexes have been synthesized to determine the effect of allyl ligands on the internal charge-transfer process that exists in these materials. Compared to the pentamethylcyclopentadienyl-ytterbocene compound Cp*Yb-2(tpyCN) (nu(C N) = 2172 cm(-1)), the symmetrically substituted allyl complex [1,3-(SiMe3)(2)C3H3](2)Yb(tpyCN) possesses a markedly lowered C N frequency of 2130 cm(-1). Furthermore, the electronic nature of these bulky allyl complexes can be tuned, as demonstrated by the C N frequency of the asymmetric derivatives [1-(SiMe3)C3H4]2Yb(tpyCN) and [1-(SiPh3)-3-(SiMe3)C3H3](2)Yb(tpyCN) (2171 and 2164 cm(-1), respectively). The differences in these frequencies can be attributed to differences in the ligands' steric and electronic character. Single-crystal X-ray characterization of [1,3-(SiMe3)(2)C3H3](2)Yb(tpy) reveals that the allyl moiety possesses shorter Yb-C and Yb-N bond distances than the Cp* analogue. The magnetic susceptibility data for [1,3-(SiMe3)(2)C3H3](2)Yb(tpy) departs dramatically from the Curie law, with a room-temperature magnetic moment of 2.95 mu(B).

  DOI：

  10.1021/ic060603x

文献信息

• Homoleptic allyl complexes of chromium with trimethylsilylated ligands. Formation and molecular structure of {[1-(SiMe3)C3H4]2Cr}2, [1,3-(SiMe3)2C3H3]2Cr, and [1,1′,3-(SiMe3)3C3H2]2Cr
  作者：Christin N Carlson、J.Dominic Smith、Timothy P Hanusa、William W Brennessel、Victor G Young

  DOI：10.1016/s0022-328x(03)00603-x

  日期：2003.10

  equivalents of K[1-(SiMe3)C3H4], K[1,3-(SiMe3)2C3H3], or K[1,1′,3-(SiMe3)3C3H2] with CrCl2 in THF at −78 °C produces the red complexes [1-(SiMe3)C3H4]2Cr}2 (1), [1,3-(SiMe3)2C3H3]2Cr (2) and [1,1′,3-(SiMe3)3C3H2]2Cr (3), respectively. They are thermally stable compounds, remarkably so for the monomeric 2 and 3, which possess formal 12-electron counts. Single crystal X-ray structures confirm the dimeric

  两当量的K [1-（SiMe 3）C 3 H 4 ]，K [1,3-（SiMe 3）2 C 3 H 3 ]或K [1,1'，3-（SiMe 3）反应3 C 3 H 2 ]和CrCl 2在-78°C下的THF中生成红色络合物[1-（SiMe 3）C 3 H 4 ] 2 Cr} 2（1），[1,3-（SiMe 3）2 C 3 H 3 ] 2 Cr（2）和[1,1'，3-（SiMe3）3 C 3 H 2 ] 2 Cr（3）。它们是热稳定的化合物，对于单体2和3来说非常明显，它们具有正式的12电子计数。单晶X射线结构证实了[1-（SiMe 3）C 3 H 4 ] 2 Cr} 2的二聚性质，它是围绕CrCr'= 1.9784（7）的Cr 2核构造的。在单体络合物中，烯丙基配体以三全能方式与金属键合，CrC距离为2.193（2）–2.257（2）Åin 2和2.223（5）–2.319（5）Åin
• TW2018/29425
  申请人：——

  公开号：——

  公开（公告）日：——
• Metal Allyl Complexes with Bulky Ligands:  Stabilization of Homoleptic Thorium Compounds, [(SiMe₃)<i>_n</i>C₃H₅_-<i>_n</i>]₄Th (<i>n</i> = 1, 2)
  作者：Christin N. Carlson、Timothy P. Hanusa、William W. Brennessel

  DOI：10.1021/ja047770l

  日期：2004.9.1

  Unlike the parent (C3H5)4Th that decomposes at 0 degrees C, homoleptic tetra(allyl)thorium complexes [(SiMe3)nC3H5-n]4Th (n = 1, 2) have been prepared from ThBr4(thf)4 and K[(SiMe3)nC3H5-n] that are stable up to 90 degrees C (n = 1) or 124 degrees C (n = 2). The molecules, which are fluxional on the NMR time scale, contain the first structurally authenticated Th-allyl bonds. The trimethylsilyl groups cause relatively little perturbation in the core metal-allyl geometry but markedly increase the kinetic stability of the compounds.