Sn(OTf)2*tetraglyme | 1361343-34-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: Sn(OTf)2*tetraglyme
• 英文别名: 1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;tin(2+);trifluoromethanesulfonate
• CAS: 1361343-34-1
• 化学式: C₁₂H₂₂F₆O₁₁S₂Sn
• 分子量: 639.132
• InChiKey: YBJROSNDUHVODC-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.05
• 重原子数：
  32
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  177
• 氢给体数：
  0
• 氢受体数：
  17

反应信息

• 作为产物：
  描述：

  tin(II) trifluoromethanesulfonate 、 四乙二醇二甲醚 以 乙腈 为溶剂， 以90%的产率得到Sn(OTf)2*tetraglyme
  参考文献：
  名称：

  Experimental and Computational Insights into the Stabilization of Low-Valent Main Group Elements Using Crown Ethers and Related Ligands

  摘要：

  A series of tin(II) triflate and chloride salts in which the cations are complexed by either cyclic or acyclic polyether ligands and which have well-characterized single-crystal X-ray structures are investigated using a variety of experimental and computational techniques. Mossbauer spectroscopy illustrates that the triflate salts tend to have valence electrons with higher s-character, and solid-state NMR spectroscopy reveals marked differences between superficially similar triflate and chloride salts. Cyclic voltammetry investigations of the triflate salts corroborate the results of the Mossbauer and NMR spectroscopy and reveal substantial steric and electronic effects for the different polyether ligands. MP2 and DFT calculations provide insight into the effects of ligands and substituents on the stability and reactivity of the low-valent metal atom. Overall, the investigations reveal the existence of more substantial binding between tin and chlorine in comparison to the triflate substituent and provide a rationale for the considerably increased reactivity of the chloride salts.

  DOI：

  10.1021/ja211135s