[Fe((N(SiMe3)C(H)NC(H)NC(H)N(SiMe3))-κN:κ2N',N'')2]2 | 1198109-95-3

• 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: [Fe((N(SiMe3)C(H)NC(H)NC(H)N(SiMe3))-κN:κ2N',N'')2]2
• 英文别名: (bis[1,7-bis(trimethylsilyl)-1,3,5,7-tetraazaheptatrienyl]iron(II))2；iron(2+);trimethylsilyl-[[(E)-trimethylsilyliminomethyl]iminomethyliminomethyl]azanide
• CAS: 1198109-95-3
• 化学式: C₃₆H₈₄Fe₂N₁₆Si₈
• 分子量: 1077.55
• InChiKey: JOIZFVOHFZMERC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.45
• 重原子数：
  62
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  152
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  [Na(1,7-bis(trimethylsilyl)-1,3,5,7-tetraazahepta-1,3,6-trienyl)]3 、 iron(II) bromide 以 四氢呋喃 为溶剂， 以82%的产率得到[Fe((N(SiMe3)C(H)NC(H)NC(H)N(SiMe3))-κN:κ2N',N'')2]2
  参考文献：
  名称：

  Varied Reactions of [M(L)]₃ with HgCl₂, FeBr₂, CeCl₃, AgOTf; Ligand Transfer, Nucleophilic Attack with Recombination and/or Fragmentation [M = Li or Na; L = N(SiMe₃){C(H)N}₃SiMe₃]

  摘要：

  The crystalline compounds [Hg{N(R)C(H)NR}(2)] (1), [Fe(L)(2)](2) (2), [Ce(L)(2)Cl](2) (3), [(AlMe2)(3){(N(R)C(H)NC(H)N)(2)C(H)NC(H)NR}] (4), and [Ag8Na{(N(R)C(H)N)(2)(C(H)N)(4)R}(3)](5) were obtained from [Li(L)](3) (A) (for 1) or[Na(L)](3) (B) and HgCl2, FeBr2, CeCl3, Al(Cl)Me-2, and AgOTf, respectively [L = N(R){C(H)N}(3)R; R = SiMe3]. Compounds 1, 2, 3, and 5 were prepared in tetrahydrofuran (THF) at 20 degrees C; for 4, it was C6H14 at -78 degrees C. NMR data for 1 showed only a single SiMe3 environment for 1, implicating a fast exchange process. Single crystal X-ray data showed dinuclear structures for 2 and 3. Each ligand [L](-) in crystalline 2 was bound to each of the two Fe atoms in a kappa(1)- or kappa(2)-fashion, respectively, with one NSiMe3 group of the former unattached; this was consistent with VT H-1 NMR spectral data indicative of fast exchange (at 313 K) between axial kappa(1)- and equatodal kappa(2)-N,N-coordination to Fe. The magnetic moment for 2 in C6H6 was appropriate for high-spin octahedral Fe(II). The ligands [L](-) in crystalline 3 are arranged in a helical fashion. The NMR spectra of 4 in C6D5CD3 showed that there is an equilibrium between two asymmetric structures; minor co-products were 4', assigned as a symmetrical isomer of 4, and N(R)C(H)NR2. The anion of 5 is proposed to be identical to that of 4'. Routes to the ligands of 1, 4, 4', and 5 are suggested; the key feature is that the ligand [L](-), unless tethered in an appropriate metal-containing matrix (as in A, B, 2, or 3), is labile because of SiMe3 mobility, fragmentation, and/or recombination.

  DOI：

  10.1021/ic901687a