tetraazidoarsonium hexafluoroarsenate | 171565-26-7

• 英文名称: tetraazidoarsonium hexafluoroarsenate
• 英文别名: hexafluoroarsenic(1-);tetraazidoarsanium
• CAS: 171565-26-7
• 化学式: AsF₆*AsN₁₂
• 分子量: 431.914
• InChiKey: SAOWCTIAPLOBTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  tetraazidoarsonium hexafluoroarsenate 以 neat (no solvent) 为溶剂， 生成 氮 、 三氟化砷
  参考文献：
  名称：

  14N NMR spectra of covalent halogen and arsenic azides: XN3 (X  Cl, Br, I), (CH3)nAs(N3)3−n (n = 0, 1, 2) and [As(N3)4]+

  摘要：

  The N-14 NMR spectra of the halogen azides XN(3) (X = Cl, Br, I), the neutral arsenic(III) compounds (CH3)(n)As(N-3)(3-n) (n = 0, 1, 2) as well as the cationic arsenic(V) species [As(N-3)(4)](+) are reported. For all compounds-including the cationic [As(N-3)(4)](+) (AsF6- salt)-the covalent character of the element-azide bond (element = halogen, arsenic) is demonstrated by the appearance of three distinct N-14 NMR signals.

  DOI：

  10.1016/0584-8539(94)01313-6
• 作为产物：
  描述：

  tetrachloroarsonium(V) hexafluoroarsenate(V) 、 sodium azide 以 二氧化硫 为溶剂， 以76%的产率得到tetraazidoarsonium hexafluoroarsenate
  参考文献：
  名称：

  Preparation and characterization of the first binary arsenic azide species: As(N₃)₃and [As(N₃)₄][AsF₆]

  摘要：

  Reaction of AsCl3 with activated sodium azide in CFCl3 gave As(N-3)(3) in quantitative yield. Reaction of [AsCl4][AsF6] in liquid SO2 led to [As(N-3)(4)][AsF6]. The identity of both new compounds was established by N-14 NMR. IR and Raman spectroscopy and in addition for As(N-3)(3) by microanalysis and mass spectrometry. The heat of decomposition of [As(N-3)(4)][AsF6] was estimated on the basis of a Born-Haber energy cycle.

  DOI：

  10.1039/dt9950003365

文献信息

• Experimental and Theoretical Characterization of Cationic, Neutral, and Anionic Binary Arsenic and Antimony Azide Species
  作者：Konstantin Karaghiosoff、Thomas M. Klapötke、Burkhard Krumm、Heinrich Nöth、Thomas Schütt、Max Suter

  DOI：10.1021/ic010463l

  日期：2002.1.1

  Cationic, neutral, and anionic arsenic and antimony halides formed binary arsenic and antimony azide species M(N(3))(4)(+), M(N(3))(4)(-), and M(N(3))(6)(-) (M = As, Sb) upon reaction with trimethylsilyl azide or sodium azide. The compounds were obtained as pure substances or salts, and their identity was established by vibrational spectroscopy and multinuclear NMR spectroscopy and partially by elemental

  阳离子，中性和阴离子砷和锑卤化物形成二元砷和叠氮化锑物质M（N（3））（4）（+），M（N（3））（4）（-）和M（N（ 3））（6）（-）（M = As，Sb）与三甲基硅烷基叠氮化物或叠氮化钠反应后。获得的化合物为纯物质或盐，其身份通过振动光谱和多核NMR光谱确定，部分通过元素分析确定。尝试合成五叠氮化物M（N（3））（5）（M = As，Sb）的尝试由于化合物的自发分解而失败。应用密度泛函理论（B3LYP）计算结构和振动数据。分离出的叠氮化物化合物的振型与计算结果进行了振动分配。从理论上研究了五叠氮化砷和锑的分子结构和振动光谱。这些计算（B3LYP）显示了所有报告化合物的最小结构（NIMAG = 0）。结果表明M（N（3））（4）（+）（M = As，Sb）阳离子表现出理想的S（4）对称性和M（N（3））（6）（-）阴离子（ M = As，Sb）理想的S（6）对称性。六叠氮砷酸盐（V）