[dititanium(IV)(fluoride)9](1-) | 52043-81-9

• 英文名称: [dititanium(IV)(fluoride)9](1-)
• 英文别名: face-[TiF3(μ-F)3TiF3](1-)；TiF3(μ-F)3TiF3(1-)
• CAS: 52043-81-9
• 化学式: F₉Ti₂
• 分子量: 266.746
• InChiKey: OTZHRWHKMUEZPA-UHFFFAOYSA-E

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

• 作为反应物：
  描述：

  [titanium(IV)tetrafluoride(acetonitrile)2] 、 [dititanium(IV)(fluoride)9](1-) 、 cis-[titanium(IV)(fluoride)3(acetonitrile)3](1+) 、 三甲基硅烷基2-吡啶羧酸酯 以 乙腈 为溶剂， 生成 [dititanium(IV)(fluoride)6(μ-floride)(μ-(O,O)-pic)2](1-)
  参考文献：
  名称：

  19F NMR method for evaluation of the donor site basicity and coordination modes of chelating ligands in the reaction of α-picolinic acid and its derivatives with titanium tetrafluoride

  摘要：

  It has been shown by the example of TiF4 complexes with alpha-picolinic acid (C5H5NCOOH, picH) and its esters (picEt and picSiMe(3)) in CH3CN that the F-19 NMR chemical shifts can be used for estimating the basic properties of nonequivalent donor sites of chelating ligands. TiF4 reacts with picEt to form adducts: the TiF4(eta(2)-picEt) chelate and trans-TiF4(picEt)(2). The reaction of TiF4 with an equimolar amount of picH yields the cis-TiF4 (eta(2)-picH) complex with three nonequivalent fluorine positions. The introduction of a ligand excess leads to a change in the chemical shifts of the fluoro complex, which is interpreted to be due to the formation of H-bonded complexes TiF4(eta(2)-picHaEuro broken vertical bar picH). The introduction of Et3N, which binds protons, shifts the equilibrium toward the [TiF4(eta(2)-pic)](-) anion. The reaction of TiF4 with picSiMe(3) occurs in an essentially different way. The major species in solution is the [(mu-F)(mu-OOpic)(2)(TiF3)(2)](-) dimer. Its possible isomeric structures are discussed. On the basis of comparison of the chemical shifts of the fluorine atoms trans to the oxygen and nitrogen atoms of the chelate ligand, the conclusion has been drawn that the basicity of the chelate donor sites increases in the series (eta(2)-picEt)TiF4 < (eta(2)-picH)TiF4 < [(eta(2)-pic)TiF4](-) and that for all the complexes, the basicity of the nitrogen atom of the chelate is higher than that of the oxygen atom.

  DOI：

  10.1134/s0036023613110107
• 作为产物：
  描述：

  stannous fluoride 、 四氯化钛 以 乙腈 为溶剂， 生成 [dititanium(IV)(fluoride)9](1-)
  参考文献：
  名称：

  Kokunov; Ershova; Razgonyaeva, Russian Journal of Coordination Chemistry, 2000, vol. 26, # 8, p. 538 - 542

  摘要：

  DOI：

文献信息

• 18‐Crown‐6 and Titanium Tetrafluoride − Preparation of the Ti ^IV Fluoride Crown Ether Complexes (TiF ₄ ) ₂ (18‐Crown‐6) and the Stabilization of <i>cis‐</i> TiF ₄ (H ₂ O) ₂ in [{ <i>cis‐</i> TiF ₄ (H ₂ O) ₂ } ₂ (18‐Crown‐6)]
  作者：T. Stanley Cameron、Andreas Decken、Evgeny G. Ilyin、Grigori B. Nikiforov、Jack Passmore

  DOI：10.1002/ejic.200400310

  日期：2004.10

  Reaction of TiF4 and 18-crown-6 in MeCN affords the molecular complex [(cis-TiF4)2(18-crown-6)] (1) only. Water and THF displace the 18-crown-6 in the tetrafluoro complex 1, with the formation of cis-TiF4L2. The complex cis-TiF4(H2O)2 and 18-crown-6 form [cis-TiF4(H2O)2}2(18-crown-6)] (2), in which cis-TiF4(H2O)2 and 18-crown-6 are connected by hydrogen bonding through the protons of coordinated H2O

  TiF4 和 18-crown-6 在 MeCN 中的反应仅提供分子复合物 [(cis-TiF4)2(18-crown-6)] (1)。水和 THF 取代了四氟络合物 1 中的 18-crown-6，形成了 cis-TiF4L2。络合物cis-TiF4(H2O)2和18-crown-6形成[cis-TiF4( )2}2(18-crown-6)] (2)，其中cis-TiF4( )2和18 -crown-6通过TiF4( )2中配位 的质子和冠醚的氧原子通过氢键连接。配合物 1 和 2 通过 X 射线单晶分析、元素分析、红外、核磁共振和质谱进行表征。通过取代反应的 NMR 光谱研究，确定了 18-Crown-6 和分子供体配体 MeCN、THF、 对 TiIV 氟化物的相对碱性。18-crown-6 比 MeCN 稍微基础，类似于 Et2O，并且比 THF 和
• Hexafluoroantimony(v) salts of the cationic Ti(iv) fluoride non metallocene complexes [TiF3(MeCN)3]+ and [TiF2L]2+ (L = 15-Crown-5 and 18-Crown-6). Preparation, characterization and thermodynamic stability
  作者：Andreas Decken、Evgeny G. Ilyin、H. Donald Brooke Jenkins、Grigori B. Nikiforov、Jack Passmore

  DOI：10.1039/b500993f

  日期：——

  cis-TiF4(Crown), SbF5L, titanium oxofluoride and alkoxide complexes. The structure of the fac-[TiF3(MeCN)3]+ is similar to the fac-[TiCl3(MeCN)3]+ and the complexes trans-[TiF2L]2+ L = 15-Crown-5, 18-Crown-6 have very similar geometries to that of trans-[TiCl2(15-Crown-5)]+ showing that the essential features of coordination are the same for the cationic titanium chloride and fluoride complexes with MeCN and

  含阳离子氟化钛的配合物[fac-TiF3（MeCN）3] [SbF6] .MeCN（1），[trans-TiF2（15-Crown-5）] [SbF6] 2（2）和[trans-TiF2（18） -Crown-6）] [SbF6] 2（2）是由TiF4，分子配体和SbF5在MeCN中反应制得的。配合物1-3通过X射线单晶分析，元素分析，IR，NMR和质谱表征。四氟化钛在SO2中与SbF5反应，形成fac- [TiF3（SO2）3] +，通过19F NMR检测。基于体积的方法在热力学（VBT）中的应用首次提供了一种探索围绕这些材料的能量学的方法，并且在热力学部分中提供了对该新方法的讨论。结果表明，形成[TiF3L3] [SbF6]（s）盐的热力学驱动力的基础是 迫使不利的[DeltaH度= + 237（+/- 20）kJ mol（-1）]氟离子从路易斯酸TiF4转移到SbF5（l），从而得出假设的[TiF3]