1,1,3-tribromotriselan-1-ium hexafluoroarsenate(V) | 114384-94-0

• 英文名称: 1,1,3-tribromotriselan-1-ium hexafluoroarsenate(V)
• CAS: 114384-94-0
• 化学式: AsF₆*Br₃Se₃
• 分子量: 665.504
• InChiKey: NFCQWARDNCLDHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.53
• 重原子数：
  13.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  selenium 、 溴 、 五氟化砷 以 二氧化硫 为溶剂， 以99%的产率得到1,1,3-tribromotriselan-1-ium hexafluoroarsenate(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

文献信息

• The preparation and X-ray crystal structures of Br₂S⁺SSBr(AsF₆^–) and Br₂Se⁺SeSeBr(AsF₆^–)
  作者：Jack Passmore、Mahmoud Tajik、Peter S. White

  DOI：10.1039/c39880000175

  日期：——

  Reactions of stoicheiometric quantities of sulphur or selenium, bromine, and arsenic pentafluoride in liquid SO2 lead to the quantitative syntheses of crystalline Br2M+MMBr(AsF6–), (M = S, Se), the structures of which were determined by single crystal X-ray diffraction.

  在液态二氧化硫中与等计量的硫或硒、溴和五氟化砷反应，定量合成了晶体 Br2M+MMBr(AsF6â) （M = S、Se），并通过单晶 X 射线衍射确定了其结构。