| 287957-78-2

• CAS: 287957-78-2
• 化学式: C₂H₃N*C₄H₁₀O*C₂₈H₃₀Cl₄N₅OS₃Ti₃
• 分子量: 949.404
• InChiKey: FXNBHSASCVOFSQ-UHFFFAOYSA-G

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：

  乙醚 、 sodium thiophenolate 、 四氯化钛 、 乙腈 以 乙腈 为溶剂， 生成 Titanium, tris(acetonitrile)trichloro- 、
  参考文献：
  名称：

  The synthesis and structural characterization of [Et4N]2[Ti(SPh)6] and trimeric [Ti3O(SPh)3Cl4(CH3CN)5]·CH3CN·(C2H5)2O complexes

  摘要：

  The reaction of TiCl4 with 6 equiv. of NaSPh in the presence of organic cations such as Et4N+ or PPh4+ proceeds to yield a novel homoleptic arylthiolate Ti(IV) complex, [Ti(SPh)(6)](2-). The Et4N salt of [Ti(SPh)(6)](2-) has been structurally determined. The coordination geometry around the metal ion is a regular octahedron in which the central titanium ion is located on the crystallographic inversion center. The infrared (IR) spectrum of compound I exhibits the characteristic Ti-S bond stretching vibrations of thiophenolate ligands at 480 and 430 cm(-1), and the H-1 NMR spectrum in CD3CN displays characteristic Et4N+ resonance peaks and six thiophenolate resonance peaks which are consistent with the solid state structure. The reaction of TiCl4 with 3 or 4 equiv. of NaSPh in CH3CN yields the unexpected mixture of dark purple [TiCl3(CH3CN)(3)] and dark led [Ti3O(SPh)(3)Cl-4(CH3CN)(5)] . CH3CN . (C2H5)(2)O (II) complexes. Complex II has been structurally determined by single X-ray crystallography. The IR spectrum of complex II exhibits a mu(3)-O stretching vibration at 600 cm(-1) and Ti-S vibrations of the thiophenolate ligand at 481 and 429 cm(-1). (C) 2000 Elsevier Science Ltd All rights reserved.

  DOI：

  10.1016/s0277-5387(00)00374-0