(Se Cl3) (As F6) | 19709-96-7

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 类金属盐
• 英文名称: (Se Cl3) (As F6)
• 英文别名: hexafluoroarsenic(1-);trichloroselanium
• CAS: 19709-96-7
• 化学式: AsF₆*Cl₃Se
• 分子量: 374.231
• InChiKey: COUDTDJFJJEDBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.83
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  selenium 、 (Se Cl3) (As F6) 在 SO₂ClF 作用下， 以 二氧化硫 为溶剂， 以99%的产率得到1,1,3-trichlorotriselan-1-ium hexafluoroarsenate(V)
  参考文献：
  名称：

  Bakshi, Pradip; Boyle, Paul D.; Cameron, T. Stanley, Inorganic Chemistry, 1994, vol. 33, # 18, p. 3849 - 3851

  摘要：

  DOI：
• 作为产物：
  描述：

  selenium 、 氯 、 五氟化砷 以 二氧化硫 为溶剂， 生成 (Se Cl3) (As F6)
  参考文献：
  名称：

  The preparation and characterization of SeCl₃SbF₆, improved syntheses of MCl₃(As/Sb)F₆ (M = S, Se), and the X-ray crystal structure determination of SeCl₃AsF₆ and a new phase of SBr₃SbF₆

  摘要：

  描述了MX₃(As/Sb)F₆（M = S，Se）和SCl₃(SbCl₆/AlCl₄)盐的替代和在某些情况下改进的合成方法。此外，报道了SeCl₃SbF₆的合成方法。这些化合物通过FT-Raman光谱学进行了表征，并确定了SeCl₃AsF₆（还使用了⁷⁷Se NMR）和新相SBr₃SbF₆的X射线晶体结构。SeCl₃AsF₆和SBr₃SbF₆的晶体为单斜晶系，空间群为P2₁/c，参数为a = 7.678(1) [8.137(1)] Å，b = 9.380(3) [9.583(2)] Å，c = 11.920(3) [12.447(2)] Å，β = 98.19(2)° [97.36(1)]°，V = 849.72(3) [962.6(3)] ų，z = 4，D_x = 2.925 [3.502] Mg m⁻³，R = 0.0525 [0.055]，R_w = 0.0554 [0.060]，对于1151 [1472]个观察到的反射。关键词：MX₃⁺盐，FT-Raman光谱学，SeCl₃AsF₆，SBr₃SbF₆的X射线晶体结构，以及SeCl₃SbF₆的制备。

  DOI：

  10.1139/v96-184

文献信息

• The preparation and structure of (SeCl₂)₂N⁺AsF₆^–·MeCN containing the first ternary selenium, nitrogen, chlorine cation
  作者：Matthias Broschag、Thomas M. Klapötke、Inis C. Tornieporth-Oetting、Peter S. White

  DOI：10.1039/c39920001390

  日期：——

  The Cl2Se–N–SeCl2+ cation which represents the first example of a ternary Se, N, Cl species has been prepared by the reaction of SeCl3+AsF6– and N(SiMe3)3; the crystal structure of the AsF6– salt has been determined by a low-temperature single crystal X-ray diffraction study.

  Cl2Se-N-SeCl2+阳离子是Se、N、Cl三元化合物的第一个实例，由SeCl3+AsF6-和N(SiMe3)3反应制备而成；AsF6-盐的晶体结构通过低温单晶X射线衍射研究确定。
• 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)⁺
  作者：Scott Brownridge、T. Stanley Cameron、Jack Passmore、Gabriele Schatte、Todd C. Way

  DOI：10.1039/dt9960002553

  日期：——

  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.
• Schulz, Axel; Buzek, Peter; Schleyer, Paul von Rague, Chemische Berichte, 1995, vol. 128, # 1, p. 35 - 40
  作者：Schulz, Axel、Buzek, Peter、Schleyer, Paul von Rague、Broschag, Matthias、Tornieporth-Oetting, Inis C.、et al.

  DOI：——

  日期：——