bis(1,2,3,4,-tetraisopropylcyclopentadienyl)chromium(II) | 201161-43-5

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物
• 英文名称: bis(1,2,3,4,-tetraisopropylcyclopentadienyl)chromium(II)
• 英文别名: octaisopropylchromocene；Bis(tetraisopropylcyclopentadienyl)chromium(II)；chromium(2+);1,2,3,5-tetra(propan-2-yl)cyclopenta-1,3-diene
• CAS: 201161-43-5
• 化学式: C₃₄H₅₈Cr
• 分子量: 518.831
• InChiKey: FTKLBNMYEFCDTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.8
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  sodium 1,3,4,5-tetrakis(iso-propyl)cyclopentadienide 、 chromium(II) acetate 以 四氢呋喃 为溶剂， 以72%的产率得到bis(1,2,3,4,-tetraisopropylcyclopentadienyl)chromium(II)
  参考文献：
  名称：

  Octaisopropylchromocen: Das erste Chromocen mit kontinuierlichemlow spin/high spin-�bergang

  摘要：

  Octaisopropylchromocene: The First Chromocene with Gradual low spin/high spin‐TransitionOctaisopropylchromocene (1) exists in a low spin state at very low temperatures and undergoes a gradual spin transition on warming up. At 300 K a high spin state with four unpaired electrons has been found for solid 1 by investigation of its magnetic properties.

  DOI：

  10.1002/zaac.19976231203

文献信息

• Synthesis and characterization of chromocenes containing bulky cyclopentadienyl ligands
  作者：Jason S Overby、Nathan J Schoell、Timothy P Hanusa

  DOI：10.1016/s0022-328x(98)00485-9

  日期：1998.6

  Two equivalents of K[Cp'] (Cp' = C-5(i-Pr)(3)H-2, C-5(i-Pr)(4)H, C-5(t-Bu)(2)H-3) react with CrCl2 in THF to give the corresponding chromocenes, Cp-2'Cr, in good yield. Despite the presence of bulky substituents on the rings that could affect their properties, the complexes are extremely air- and moisture-sensitive, and possess a low-spin ground state. The low-spin paramagnetic nature of each chromocene was confirmed by magnetic susceptibility measurements. The solid-state structure of [C-5(i-Pr)(3)H-2](2)Cr was obtained using single crystal X-ray analysis. It displays rigorously parallel rings, with an average Cr-C(ring) distance of 2.17(1)Angstrom; the chromium resides on a crystallographically imposed inversion center. The orientation of the isopropyl groups minimizes unfavorable steric interactions between the rings. (C) 1998 Elsevier Science S.A. All rights reserved.