(thallium(I) methylcyclohexyldithiocarbamate)2 | 1263305-27-6

• 英文名称: (thallium(I) methylcyclohexyldithiocarbamate)2
• CAS: 1263305-27-6
• 化学式: C₁₆H₂₈N₂S₄Tl₂
• 分子量: 785.442
• InChiKey: YWXVNVCKPSJMLL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 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：

  二硫化碳 、 thallium(I) fluoride 、 N-甲基环己胺 以 乙醇 、 水 为溶剂， 以65%的产率得到(thallium(I) methylcyclohexyldithiocarbamate)2
  参考文献：
  名称：

  Supramolecularly linked linear polymers of thallium(I) dithiocarbamates: Steric influence on the supramolecular interactions of methyl and ethylcyclohexyl dithiocarbamates of thallium(I)

  摘要：

  Spectral and single crystal X-ray structural studies on [Tl(mchdtc)](2) (1) and [Tl(echdtc)](2) (2) (where mchdtc = methylcyclohexyldithiocarbamate and echdtc = ethylcyclohexyldithiocarbamate) were carried out. Both the synthesized complexes were characterized by UV-Vis, fluorescence, IR, H-1 and C-13 NMR spectra. IR spectra of the complexes show the contribution of the thioureide form to the structures. Both compounds show weak fluorescence. The bond valence sums calculated for the complexes support the highly covalent nature of the Tl-S interactions. A Tl center dot center dot center dot center dot H short interaction observed in the methyl analogue is totally absent in (2) because of the change in conformation of the cyclohexyl ring due to the introduction of ethyl group. Though the neighbouring non-bonded groups are flexible, thallium adjusts its thallophilic contacts to retain a hemisphere free for its pair of 's' electrons in the presence of a sterically demanding ethyl group. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.09.029