xenon difluoride * AsF5 | 26024-71-5

• 英文名称: xenon difluoride * AsF5
• CAS: 26024-71-5
• 化学式: AsF₆*FXe
• 分子量: 339.2
• InChiKey: MMOGORLKWHWDNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.56
• 重原子数：
  9.0
• 可旋转键数：
  0.0
• 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

• 作为反应物：
  描述：

  xenon difluoride * AsF5 在 氢氰酸 作用下， 以 氢氟酸 为溶剂， 生成 fluoro(hydrogen cyanide)xenon(II)AsF6
  参考文献：
  名称：

  Emara, Adel A. A.; Schrobilgen, Gary J., Inorganic Chemistry, 1992, vol. 31, # 8, p. 1323 - 1332

  摘要：

  DOI：
• 作为产物：
  描述：

  、 氙气 以 氢氟酸 为溶剂， 生成 xenon difluoride * AsF5
  参考文献：
  名称：

  The N2F+ cation. An unusual ion containing the shortest presently known nitrogen-fluorine bond

  摘要：

  The N2F+AsF6- salt was prepared in high yield from trans-N2F2 by thermal trans-cis isomerization in the presence of AsF5 at 70-degrees-C. A displacement reaction between N2F+AsF6- and FNO yields exclusively cis-N2F2. The Lewis acids BF3 and PF5 do not form a stable adduct with cis-N2F2 at temperatures as low as -78-degrees-C and do not catalyze the N2F2 trans-cis isomerization. A semiempirical molecular orbital model is used to explain the puzzling differences in the reaction chemistry of cis- and trans-N2F2. The crystal structure of N2F+AsF6- (monoclinic, C2/m, a = 9.184 (5) angstrom, b = 5.882 (2) angstrom, c = 5.160 (2) angstrom, beta = 90.47 (4)-degrees, Z = 2) was determined. Alternate space groups (Cm and C2) can be rejected on the basis of the observed vibrational spectra. Since in C2/m the N2F+ cations are disordered, only the sum of the N-F and N-N bond distances could be determined from the X-ray data. Local density functional calculations were carried out for N2F+ and the well-known isoelectronic FCN molecule. The results from these calculations allowed the sum of the N2F+ bond lengths to be partitioned into the individual bond distances. The resulting N-F bond length of 1.217 angstrom is by far the shortest presently known N-F bond, while the N-N bond length of 1.099 angstrom is comparable to the shortest presently known N-N bond length of 1.0976 (2) angstrom in N2. The surprising shortness of both bonds is attributed to the high s-character (sp hybrid) of the sigma-bond orbitals on nitrogen and the formal positive charge on the cation. Thus, the shortening of the N-F bond on going from sp3-hybridized NF4+ (1.30 angstrom) to sp-hybridized N2F+ (1.22 angstrom) parallels those found for the C-H and C-F bonds in the CH4, CH2 = CH2, CH = CH and CF4, CF2 = CF2, FC = N series, respectively. The oxidative power of N2F+ has also been studied. The N2F+ cation oxidized Xe and ClF to XeF+ and ClF2+, respectively, but did not oxidize ClF5, BrF5, IF5, XeF4, NF3, or O2.

  DOI：

  10.1021/ja00010a023
• 作为试剂：
  描述：

  2,2,4,4-四(三氟甲基)-1,3-二硫杂环丁烷 在 xenon difluoride * AsF5 作用下， 以 氢氟酸 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Minkwitz, Rolf; Baeck, Birgit; Preut, Hans, Zeitschrift fur Naturforschung, B: Chemical Sciences, 1994, vol. 49, # 7, p. 881 - 888

  摘要：

  DOI：

文献信息

• On the XeF⁺/H₂O System: Synthesis and Characterization of the Xenon(II) Oxide Fluoride Cation, FXeOXeFXeF⁺
  作者：Michael Gerken、Matthew D. Moran、Hélène P. A. Mercier、Bernard E. Pointner、Gary J. Schrobilgen、Berthold Hoge、Karl O. Christe、Jerry A. Boatz

  DOI：10.1021/ja905060v

  日期：2009.9.23

  characterized by vibrational spectroscopy and single-crystal X-ray diffraction. The X-ray crystal structures of the [Xe(3)OF(3)][PnF(6)] salts contain the Z-shaped FXeOXeFXeF(+) cation, which represents the first example of an isolated Xe(II) oxide fluoride. The crystal structure of the [H(3)O][AsF(6)] x 2 XeF(2) adduct contains XeF(2) molecules that interact with the H(3)O(+) cations. The vibrational assignments

  H(2)OF(+) 阳离子作为 H(2)O 被 [XeF][PnF(6)] (Pn = As, Sb) 在 HF 溶液中氧化氟化的产物的合成已被重新研究. 该系统表现出复杂的平衡，产生两种新的 Xe(II) 化合物，[Xe(3)OF(3)][PnF(6)] 和 [H(3)O][PnF(6)] x 2 XeF(2) )，驳斥了合成 H(2)OF(+) 阳离子的原始主张。两种化合物都已被分离出来，并通过振动光谱和单晶 X 射线衍射表征。[Xe(3)OF(3)][PnF(6)] 盐的 X 射线晶体结构包含 Z 形 FXeOXeFXeF(+) 阳离子，它代表了分离的 Xe(II) 氧化物氟化物的第一个例子. [H(3)O][AsF(6)] x 2 XeF(2) 加合物的晶体结构包含与 H(3)O(+) 阳离子相互作用的 XeF(2) 分子。Xe(3)OF(3)(+) 阳离子的振动分配是在量子化学计算的帮助下进行的，并通过
• Syntheses of [F₅TeNH₃][AsF₆], [F₅TeN(H)Xe][AsF₆], and F₅TeNF₂ and Characterization by Multi-NMR and Raman Spectroscopy and by Electronic Structure Calculations:  The X-ray Crystal Structures of α- and β-F₅TeNH₂, [F₅TeNH₃][AsF₆], and [F₅TeN(H)Xe][AsF₆]
  作者：Barbara Fir、J. Marc Whalen、Hélène P. A. Mercier、David A. Dixon、Gary J. Schrobilgen

  DOI：10.1021/ic051451t

  日期：2006.3.1

  by crystallization from liquid SO2 between -50 and -70 degrees C and is fully ordered. The high-temperature phase, beta-F5TeNH2, was obtained by sublimation at room temperature and exhibits a 6-fold disorder. Decomposition of [F5TeN(H)Xe][AsF6] in the solid state was rapid above -30 degrees C. The decomposition of F5TeN(H)Xe+ in HF and BrF5 solution at -33 degrees C proceeded by fluorination at nitrogen

  盐[F5TeN（H）Xe] [AsF6]以自然丰度和99.5％富含15N的形式合成。作为[F5TeNH3] [AsF6]与XeF2（HF和BrF5溶剂）和F5TeNH2与[XeF] [AsF6]（HF溶剂）反应的产物，获得了F5TeN（H）Xe +阳离子，并通过129Xe在溶液中表征，在-60至-30摄氏度下进行19F，125Te，1H和15N NMR光谱分析。橙色[F5TeN（H）Xe] [AsF6]和无色[F5TeNH3] [AsF6]盐在HF溶剂中从混合物中结晶出来-35℃，通过-165℃下的拉曼光谱和X射线晶体学表征。低温相α-F5TeNH2的晶体结构是通过在-50至-70摄氏度之间的液态SO2中结晶而获得的，并且晶体结构是有序的。高温相β-F5TeNH2 通过在室温下升华获得的产物具有6倍的无序性。固态[F5TeN（H）Xe] [AsF6]在高于-30℃时迅速分解。在-33℃下，
• The fluoro(perfluoroalkylnitrile)noble-gas(<scp>II</scp>) cations, R_FCN–NgF⁺(Ng = Kr or Xe; R_F= CF₃, C₂F₅, n-C₃F₇), and the fluoro(trifluoro-s-triazine)xenon(<scp>II</scp>) cation, s-C₃F₃N₂N–XeF⁺; novel noble gas–nitrogen bonds
  作者：Gary J. Schrobilgen

  DOI：10.1039/c39880001506

  日期：——

  Three novel examples of Kr–N bonds derived from perfluoroalkylnitriles, the RFCN–KrF+ cations, and their xenon analogues RFCN–XeF+(RF= CF3, C2F5, n-C3F7), have been prepared and characterized in BrF5 solvent by 19F and 129Xe n.m.r. spectroscopy; the Xe–N bonded cation s-C3F3N2N–XeF+, synthesized as the AsF6– salt, is stable at room temperature and has been fully characterized by 129Xe and 19F n.m.r. and Raman spectroscopy.

  三种新型的Kr–N键结合物，由全氟烷基腈、RFCN–KrF+阳离子及其氙类似物RFCN–XeF+（RF = CF3, C2F5, n-C3F7）所构成，已在BrF5溶剂中通过19F和129Xe核磁共振光谱进行了制备和表征。与氙结合的阳离子s-C3F3N2N–XeF+以AsF6–盐的形式合成，在室温下稳定，并已通过129Xe和19F核磁共振及拉曼光谱进行了充分表征。
• Fluoro(nitrile)xenon(<scp>II</scp>) cations, RCN–XeF⁺AsF₆–(R = H, CH₃, CH₂F, C₂H₅, C₂F₅, C₃F₇, or C₆F₅); novel examples of xenon–nitrogen bonds and¹²⁹Xe–¹³C,¹²⁹Xe–¹H, and¹²⁹Xe-¹⁴N nuclear spin-spin couplings
  作者：Adel A. A. Emara、Gary J. Schrobilgen

  DOI：10.1039/c39870001644

  日期：——

  A new class of Xe–N bonded compound results from the interaction of the electron lone pair of a nitrile with the Lewis acid, XeF+; the cationic adducts, RCN–XeF+, have been derived from the interaction of the appropriate nitrile with either XeF+AsF6- or Xe2F3+AsF6– in anhydrous HF at low temperature and characterized in the solid state by Raman spectroscopy (for R = H and Me) and in HF solution by

  新型的Xe–N键合化合物是由于腈的电子孤对与路易斯酸XeF +的相互作用而产生的。阳离子加合物，RC N-二氟化氙+，已经从相应的腈与相互作用产生任一的XeF + ASF 6 -或氙2 ˚F 3 + ASF 6 -在低温下的无水HF和通过拉曼其特征在于所述固态光谱（对于R = H和Me）和HF溶液中的129 Xe，19 F，14 N，13 C和1 H nmr光谱。
• [H(OXeF₂)_<i>n</i>][AsF₆] and [FXe^II(OXe^IVF₂)_<i>n</i>][AsF₆] (<i>n</i>= 1, 2): Examples of Xenon(IV) Hydroxide Fluoride and Oxide Fluoride Cations and the Crystal Structures of [F₃Xe---FH][Sb₂F₁₁] and [H₅F₄][SbF₆]·2[F₃Xe---FH][Sb₂F₁₁]
  作者：David S. Brock、Hélène P. A. Mercier、Gary J. Schrobilgen

  DOI：10.1021/ja312493j

  日期：2013.4.3

  The xenon(IV) hydroxide fluoride and oxide fluoride salts, [H(OXeF2)n][AsF6] and [FXe(II)(OXe(IV)F2)n][AsF6] (n = 1, 2), have been synthesized as the natural abundance and the (18)O- and (2)H-enriched salts and structurally characterized by low-temperature Raman spectroscopy. Quantum-chemical calculations have been used to arrive at vibrational assignments. The experimental vibrational frequencies

  氙 (IV) 氢氧化物氟化物和氧化物氟化物盐 [H(OXeF2)n][AsF6] 和 [FXe(II)(OXe(IV)F2)n][AsF6] (n = 1, 2)合成为天然丰度和（18）O-和（2）H-富集的盐，并通过低温拉曼光谱进行结构表征。量子化学计算已被用于获得振动分配。实验振动频率和同位素位移趋势通过计算的气相频率在多个理论水平上重现。阳离子链仅限于一个或两个 OXeF2 亚基，它们是氧桥联的，并与 AsF6(-) 阴离子形成强离子配对。XeOF2·xHF 与超酸性 HF/SbF5 溶剂混合物反应生成 [H5F4][SbF6]·2[XeF3·HF][Sb2F11]、[XeF3·HF][Sb2F11] 和 [XeF3][SbF6] 晶体. 每种盐的 XeF3(+) 阳离子非常相似，显示氙与三个氟原子的 T 形初级配位（AX3E2 VSEPR 排列）和与 [H5F4][SbF6]·2[XeF3·HF][Sb2F11]