{Cl3W(μ-tetrahydrothiophene)3WCl3} | 132935-81-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: {Cl3W(μ-tetrahydrothiophene)3WCl3}
• 英文别名: Cl3W(μ-tetrahydrothiophene)3WCl3
• CAS: 132935-81-0
• 化学式: C₁₂H₂₄Cl₆S₃W₂
• 分子量: 844.939
• InChiKey: XAHJZMHSWBKDRI-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
  8.67
• 重原子数：
  23.0
• 可旋转键数：
  0.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  {Cl3W(μ-tetrahydrothiophene)3WCl3} 、 2-甲基丙烷-1-硫醇钠 以 乙腈 为溶剂， 以>90的产率得到Na{Cl3W(μ-tetrahydrothiophene)(μ-S(CH2)4S(i-Bu))WCl3}
  参考文献：
  名称：

  Michael Boorman; Gao, Xiaoliang; Fait, James F., Inorganic Chemistry, 1991, vol. 30, # 20, p. 3886 - 3893

  摘要：

  DOI：

文献信息

• Syntheses, crystal structures and spectroscopic characterization of some confacial bioctahedral ditungsten(<scp>III</scp>) complexes with thioether bridges: [Cl₃W(µ-Et₂S)₃WCl₃]·MeCN and [SMe₃][Cl₃W-(µ-Me₂S)₂(µ-Cl)WCl₃]·EtCN
  作者：P. Michael Boorman、Xiaoliang Gao、Gavin K. W. Freeman、James F. Fait

  DOI：10.1039/dt9910000115

  日期：——

  Reduction of WCl4 with 1 equivalent of Na/Hg in a refluxing thioether solution produced [Cl3W(mu-L)3-WCl3][L = tetrahydrothiophene(tht) or Et2S] in ca. 80% yields. Subsequent recrystallization from CH2Cl2 and MeCN gave [Cl3W(mu-tht)3WCl3] 1 and [Cl3W(mu-Et2S)3WCl3].MeCN 2, respectively. These complexes can also be prepared, in lower yields, by the same reactions carried out at ambient temperature or by refluxing WCl4, thioether and Na/Hg in toluene solution. Analogous reactions with Me2S yield exclusively [SMe3][Cl3W(mu-Me2S)2(mu-Cl)WCl3] which was recrystallized from EtCN to yield the monosolvate, 3. The structures of 2 and 3 were determined by single-crystal X-ray diffraction, which showed that both complexes possess a confacial bioctahedral framework, with three Et2S bridges in 2 and two Me2S and one Cl in 3. The W-W distances, 2.4990(9) in 2 and 2.4752(8) angstrom 3 are compatible with triple bond character, while the W-(mu-S) distances are relatively short. The structure of compound 1 was shown spectroscopically to be analogous to that of 2. Proton NMR spectroscopic studies show that the W(mu-thioether)3W unit is resistant to attack by halide ions.