| 158730-68-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 158730-68-8
• 化学式: C₆₀H₇₄Cr₂N₂P₄Si₄
• 分子量: 1163.49
• InChiKey: HNTXPZOWJHSVPJ-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

• 作为产物：
  描述：

  、 乙基锂 以 四氢呋喃 、 乙醚 为溶剂， 生成
  参考文献：
  名称：

  偶电子顺磁性铬（II）配合物的合成与结构

  摘要：

  In an effort to develop the coordination chemistry of Cr(II), we have prepared the starting chloro-bridged dimer {[(Ph(2)PCH(2)SiMe(2))(2)N]Cr}(2)(mu-Cl)(2) by reaction of the lithium salt LiN-(SiMe(2)CH(2)PPh(2))(2) with CrCl2 . THF. Subsequent replacement of the remaining chloride leads to the formation of mononuclear organochromium complexes of the general formula CrR-[N(SiMe(2)CH(2)PPh(2))(2)] (R = Me, CH(2)Ph, C5H5). The methyl and benzyl complexes display nearly planar geometries around each Cr(II) and both show high-spin (spin-only) d(4) configurations; the solid-state structure of the benzyl derivative shows that the benzyl ligand is bound in an eta(2) fashion. The cyclopentadienyl derivative is low spin (two unpaired electrons) and shows a geometry with the tridentate ligand in a distorted facial orientation and the cyclopentadienyl unit eta(5)-bound. Semiempirical ZINDO restricted open-shell Hartree-Fock studies confirm the stabilities of the various spin states of the isolated complexes.

  DOI：

  10.1021/om00011a042