1,1,3-tribromotriselan-1-ium hexafluorostibate(V) | 179680-27-4

• 英文名称: 1,1,3-tribromotriselan-1-ium hexafluorostibate(V)
• CAS: 179680-27-4
• 化学式: Br₃Se₃*F₆Sb
• 分子量: 712.332
• InChiKey: FWYAHTUQTOEUSL-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 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：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  selenium 、 antimony(5+);tribromoselanium;hexafluoride 以 二氧化硫 为溶剂， 以98.1%的产率得到1,1,3-tribromotriselan-1-ium hexafluorostibate(V)
  参考文献：
  名称：

  Preparation, structural and spectroscopic characterisation of the salts M₃X₃AF₆(A = As or Sb, M = S or Se, X = Cl or Br) containing the novel sulfur– and selenium–halogen cations (X₂MMMX)⁺

  摘要：

  The salts X(2)MMMX(AF(6)) (A = As or Sb, M = S or Se, X = Cl or Br) were prepared quantitatively by the reaction of stoichiometric amounts of MX,AF, and M or from stoichiometric amounts of M, X(2) and AsF5 (M = S or Se; X = Br) in liquid SO,. They have been characterised by elemental analysis, single-crystal X-ray diffraction, Fourier-transform (FT)-Raman and Se-77 FT-NMR spectroscopy. The crystal structures of X(2)MMMX(AsF6) consist of (X(2)MMMX)(+) cations and AsF6- anions. The structure of the (X(2)MMMX)(+) cation is dominated by an intracationic halogen-chalcogen contact and M-M bond alternation giving rise to a short M-M bond distance indicative of thermodynamically stable np(pi)-np(pi) (n = 3 or 4) bonds. Since the structure of these cations is different from those of (YM)(2)MY(+) (Y = Me or C6F5), theoretical calculations were performed to understand these differences and the bonding in these cations. In the X(2)SSSX(AsF6) salts (X = Cl or Br) the structures of the cations are disordered and therefore exact bond distances could be not obtained. However, bond distances were estimated from their FT-Raman spectra and supported by molecular orbital calculations. The FT-Raman spectrum of Se2Br5AsF6 is reported.

  DOI：

  10.1039/dt9960002553