Tl(c)Hex3 | 928050-85-5

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物
• 英文名称: Tl(c)Hex3
• CAS: 928050-85-5
• 化学式: C₁₈H₃₃Tl
• 分子量: 453.843
• InChiKey: SMJGFFCMGPNXNA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.08
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  环己氯化镁 、 氯化铊 以 四氢呋喃 为溶剂， 生成 Tl(c)Hex3
  参考文献：
  名称：

  Organothalliumhalogenide

  摘要：

  AbstractOrganothallium HalidesWhen TlCl3 was reacted with cHexMgCl in THF, the triorganothallane TlcHex3 (1) could be obtained. The reaction of TlCl3 with PhLi in Et2O solution at 0 °C gave after workup the insoluble colorless solid Ph2TlCl (2). 2 was refluxed in pyridine. During cooling of the hot suspension colorless small crystals of [Ph2Tl(Py)2Cl]n (3) were formed. TlMes3 and TlCl3 in the molar ration 2:1 reacted in toluene at 20 °C to give the salt (TlMes2)[MesTlCl3] (4). The treatment of TlBr with MesMgBr solution (molar ratio 2:1) in THF/toluene lead to a suspension of MesTlBr2 and Tl. The suspension was refluxed in pyridine. After cooling of the solution, colorless crystals of [MesTlBr2(Py)2]·Py (5) could be isolated. 1 and 3–5 were characterized by NMR and MS techniques and in the case of 3 by vibrational spectroscopy. In addition X‐ray structure determinations of 3 ‐ 5 were performed. According to this the structure of 3 can be understood in two ways: 3 consists of polymeric linear chains along [001] buildt‐up by square planar [TlPh4]− and [Tl(Py)4]3+ units connected by Cl− ions. This would mean a description as [{TlPh4Cl}{Tl(Py)4Cl}]n. The disorder phenomena in 3 would allow the second explanation, the formation of chains [Ph2Tl(Py)2Cl]n. The unit cell of 4 contains zig‐zag chains of four‐membered rings consisting of linear (TlMes2)+ units and distorted tetrahedrons of [MesTlCl3]− ions. All chloro ligands in 4 are μ‐bridging forming Tl2Cl2 four‐membered rings and Tl‐Cl‐Tl sequences. In 5, molecular units of [MesTlBr2(Py)2] are present. The thallium atoms possess a trigonal bipyramidal environment.

  DOI：

  10.1002/zaac.200600092

文献信息

• Organothalliumhalogenide
  作者：Istemi Kuzu、Bernhard Neumüller

  DOI：10.1002/zaac.200600092

  日期：2006.7

  AbstractOrganothallium HalidesWhen TlCl3 was reacted with cHexMgCl in THF, the triorganothallane TlcHex3 (1) could be obtained. The reaction of TlCl3 with PhLi in Et2O solution at 0 °C gave after workup the insoluble colorless solid Ph2TlCl (2). 2 was refluxed in pyridine. During cooling of the hot suspension colorless small crystals of [Ph2Tl(Py)2Cl]n (3) were formed. TlMes3 and TlCl3 in the molar ration 2:1 reacted in toluene at 20 °C to give the salt (TlMes2)[MesTlCl3] (4). The treatment of TlBr with MesMgBr solution (molar ratio 2:1) in THF/toluene lead to a suspension of MesTlBr2 and Tl. The suspension was refluxed in pyridine. After cooling of the solution, colorless crystals of [MesTlBr2(Py)2]·Py (5) could be isolated. 1 and 3–5 were characterized by NMR and MS techniques and in the case of 3 by vibrational spectroscopy. In addition X‐ray structure determinations of 3 ‐ 5 were performed. According to this the structure of 3 can be understood in two ways: 3 consists of polymeric linear chains along [001] buildt‐up by square planar [TlPh4]− and [Tl(Py)4]3+ units connected by Cl− ions. This would mean a description as [TlPh4Cl}Tl(Py)4Cl}]n. The disorder phenomena in 3 would allow the second explanation, the formation of chains [Ph2Tl(Py)2Cl]n. The unit cell of 4 contains zig‐zag chains of four‐membered rings consisting of linear (TlMes2)+ units and distorted tetrahedrons of [MesTlCl3]− ions. All chloro ligands in 4 are μ‐bridging forming Tl2Cl2 four‐membered rings and Tl‐Cl‐Tl sequences. In 5, molecular units of [MesTlBr2(Py)2] are present. The thallium atoms possess a trigonal bipyramidal environment.