Co{N(SiMe3)(C6H3-2,6-Pri2)}2 | 1462944-93-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Co{N(SiMe3)(C6H3-2,6-Pri2)}2
• 英文别名: Cobalt(2+);[2,6-di(propan-2-yl)phenyl]-trimethylsilylazanide
• CAS: 1462944-93-9
• 化学式: C₃₀H₅₂CoN₂Si₂
• 分子量: 555.92
• InChiKey: VYBMLKPUSJPCFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.54
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Co{N(SiMe3)(C6H3-2,6-Pri2)}2 、 四丁基溴化铵 在 三乙基氢硼化钾 作用下， 以 四氢呋喃 为溶剂， 生成 [NBu₄][Co(N(Dipp)SiMe₃)₂]
  参考文献：
  名称：

  铬的三方卤代双（甲硅烷基氨基）金属酸盐的合成和还原成钴

  摘要：

  介绍了通过与四丁基溴化铵形成加合物或线性金属 (I) 配合物的氧化以及它们的还原来合成三方溴化金属 (II) 甲硅烷基酰胺。加合物的形成也扩展到苄基钾，产生苄基锰和钴配合物。

  DOI：

  10.1002/ejic.202100716
• 作为产物：
  描述：

  lithium (2,6-diisopropylphenyl)(trimethylsilyl)amide 、 cobalt(II) chloride 以 乙醚 为溶剂， 反应 18.0h， 以76.8%的产率得到Co{N(SiMe3)(C6H3-2,6-Pri2)}2
  参考文献：
  名称：

  Dispersion Force Stabilized Two-Coordinate Transition Metal–Amido Complexes of the −N(SiMe₃)Dipp (Dipp = C₆H₃-2,6-Prⁱ₂) Ligand: Structural, Spectroscopic, Magnetic, and Computational Studies

  摘要：

  A series of high spin, two-coordinate first row transition metal amido complexes, M{N(SiMe3)Dipp}(2) {M = Fe (1), Co (2), or Ni (3); Dipp = C6H3-2,6-Pr-2(i)} and a tetranuclear C-H activated chromium amide, [Cr{N(SiMe2CH2)-Dipp}(2)Cr](2)(THF) (4), were synthesized by reaction of their respective metal dihalides with 2 equiv of the lithium amide salt. They were characterized by X-ray crystallography, electronic and infrared spectroscopy, SQUID magnetic measurements, and computational methods. Contrary to steric considerations, the structures of 1-3 display planar eclipsed M{NSiC(ipso)}(2) arrays and short M-N distances. DFT calculations, corrected for dispersion effects, show that dispersion interactions involving C-H-H-C moieties likely stabilize the structures by 21.1-29.4 kcal mol(-1), depending on the level of the calculations employed. SQUID measurements confirm high spin electron configurations for all the complexes and substantial orbital contributions for 1 and 2.

  DOI：

  10.1021/ic402105m

文献信息

• Synthesis, Structure, and Magnetic and Electrochemical Properties of Quasi-Linear and Linear Iron(I), Cobalt(I), and Nickel(I) Amido Complexes
  作者：Chun-Yi Lin、James C. Fettinger、Fernande Grandjean、Gary J. Long、Philip P. Power

  DOI：10.1021/ic501534f

  日期：2014.9.2

  coordination (N–Fe–N = ca. 172°) for the iron(I) complex, but linear coordination for the cobalt(I) and nickel(I) complexes. Fits of the temperature dependence of χMT of 1 and 2 reveal that the iron(I) and cobalt(I) complexes have large negative D zero-field splittings and a substantial orbital contribution to their magnetic moments with L = 2, whereas the nickel(I) complex has at most a small orbital contribution

  三种钾冠醚盐，[K（Et 2 O）2（18-crown-6）] [Fe N（SiMe 3）Dipp} 2 ]（1a ; Dipp = C 6 H 3 -2,6-Pr i 2），[K（18-crown-6）] [Fe N（SiMe 3）Dipp} 2 ]·0.5PhMe（1b）和[K（18-crown-6）] [M N（SiMe 3）Dip} 2 ]（M = Co，2 ; M = Ni，3），是两个坐标的线性或接近线性的双酰胺基单阴离子[M N（SiMe 3）Dipp} 2 ] -（M = Fe，Co，Ni）是通过在18冠-6存在下用KC 8对中性前体M N（SiMe 3）Dipp} 2进行单电子还原而合成的。它们的特征在于X射线晶体学，紫外可见光谱，循环伏安法和磁测量。与中性前体相比，阴离子具有加长的M–N键，对铁（I）配合物具有轻微弯曲的配位（N–Fe–N =约172°），但对