cesium fluorosulfate | 13530-70-6

• 英文名称: cesium fluorosulfate
• 英文别名: caesium fluorosulfate
• CAS: 13530-70-6
• 化学式: Cs*FO₃S
• 分子量: 231.968
• InChiKey: XIZLNMKPMZIAID-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.58
• 重原子数：
  6
• 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：
  65.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  cesium fluorosulfate 、 以 further solvent(s) 为溶剂， 以0%的产率得到
  参考文献：
  名称：

  Willner, Helge; Aubke, Inorganic Chemistry, 1990, vol. 29, # 12, p. 2195 - 2200

  摘要：

  DOI：
• 作为产物：
  描述：

  cesium hydrogenbis(fluorosulfate) 以 neat (no solvent) 为溶剂， 生成 cesium fluorosulfate
  参考文献：
  名称：

  Superacid Anions:  Crystal and Molecular Structures of Oxonium Undecafluorodiantimonate(V), [H₃O][Sb₂F₁₁], Cesium Fluorosulfate, CsSO₃F, Cesium Hydrogen Bis(fluorosulfate), Cs[H(SO₃F)₂], Cesium Tetrakis(fluorosulfato)aurate(III), Cs[Au(SO₃F)₄], Cesium Hexakis(fluorosulfato)platinate(IV), Cs₂[Pt(SO₃F)₆], and Cesium Hexakis(fluorosulfato)antimonate(V), Cs[Sb(SO₃F)₆]

  摘要：

  In order to understand the reasons for the low nucleophilicity of superacid anions, a systematic, comparative study of six superacid anions by single-crystal X-ray diffraction is undertaken. From magic acid, HSO3F-SbF5, surprisingly, single crystals of oxonium undecafluorodiantimonate(V), [H3O][Sb2F11], 1, are obtained. In the remaining five salts the cesium ion, Cs+, is used as the countercation. Both CsSO3F, 2, and its solvate Cs[H(SO3F)(2)], 3, are derived from the Bronsted superacid HSO3F. The conjugate noble metal superacid systems HSO3F-Au(SO3F)(3) and HSO3F-Pt(SO3F)(4) provide cesium tetrakis(fluorosulfato)aurate(III) Cs[Au(SO3F)(4)], 4, and cesium hexakis (fluorosulfato)platinate(IV) Cs-2[Pt(SO3F)(6)], 5. Cesium hexakis (fluorosulfato)antimonate(V) Cs[Sb(SO3F)(6)], 6, whose synthesis is described here in detail, provides evidence for the possible existence of a new conjugate superacid system, HSO3F-Sb(SO3F)(5). Crystals of [H3O][Sb2F11] (1, H3F11OSb2) are orthorhombic, a = 12.744(2) Angstrom, b = 39.371(2) Angstrom, c = 11.407(3) Angstrom, Z = 24, and space group Pbca; those of CsSO3F (2, CsFO3S) are monoclinic, a = 7.7243(6) Angstrom, b = 8.1454(6) Angstrom, c = 7.7839(7) Angstrom, beta = 110.832(7)degrees, Z = 4, and space group P2(1)/a; those of Cs[H(SO3F)(2)] (3, HCsF2O6S2) are monoclinic, a = 13.371(2) Angstrom, b = 7.731(2) Angstrom, c = 9.485(2) Angstrom, beta = 128.375(7)degrees, Z = 4, and space group C2/c; those of Cs[Au(SO3F)(4)] (4, AuCsF4O12S4) are monoclinic, a = 17.725(2) Angstrom, b = 5.822(2) Angstrom, c = 14.624(2) Angstrom, beta = 102.120(9)degrees, Z = 4, and space group C2/c; those of CS2[Pt(SO3F)(6)] (5, Cs2F6O18PtS6) are trigonal, a = 9.070(1) Angstrom, c = 7.6028(7) Angstrom, Z = 1, space group P321; and those of Cs[Sb(SO3F)(6)] (6, CsF6O18S6Sb) are trigonal, a = 12.0317(7) Angstrom, c = 12.026(2) Angstrom, Z = 3, space group R (3) over bar. The structures were solved by Patterson (1, 2, and 6) or direct (4 and 5) methods (that of 3 is a redetermination) and were refined by full-matrix least-squares procedures to R = 0.036, 0.029, 0.027, 0.030, 0.048, and 0.039 (R(w) = 0.032, 0.027, 0.026, 0.029, 0.045, and 0.037) for 4110, 2321, 1362, 1671, 738, and 1485 reflections with I greater than or equal to 3 sigma(F-2), for 1, 2, 3, 4, 5, and 6, respectively. in addition Cs[Sb(SO3F)(6)] is characterized by vibrational spectroscopy.

  DOI：

  10.1021/ic960525l
• 作为试剂：
  描述：

  氨基甲酸丁酯 在 cesium fluorosulfate 作用下， 以 乙腈 为溶剂， 以8.7%的产率得到n-Butyl-N-fluorcarbamat
  参考文献：
  名称：

  N-fluorination of several nitrogen compounds by cesium fluoroxysulfate

  摘要：

  DOI：

  10.1007/bf01172288

文献信息

• The novel superacid systems HSO3F-Nb(SO3F)5 and HSO3F-Ta(SO3F)5
  作者：Walter V. Cicha、F. Aubke

  DOI：10.1021/ja00194a026

  日期：1989.6

  acidity, Au(SOsub 3}F)sub 3} > Ta(SOsub 3}F)sub 5} ge} SbFsub 5} > Nb(SOsub 3}F)sub 5} > NbFsub 5}, all giving rise to monoprotonic acids. Supporting evidence comes from sup 1}H, sup 19}F, and sup 93}Nb NMR spectroscopy and the successful isolation and characterization of complexes of the type Cssub n}(M(SOsub 3}F)sub 5+n}), with M = Nb or Ta and n = 1 or 2, from these solutions.

  铌和钽在 HSOsub 3}F 中被双（氟硫酰基）过氧化物 Ssub 2}Osub 6}Fsub 2} 原位氧化，导致形成溶剂化的路易斯酸 M(SO sub 3}F)sub 5}，M = Nb 或 Ta。基于 0-0.05 m 浓度范围内的电导率测量和针对 KSOsub 3}F 的电导滴定，两种溶质都表现为中等强度的单质子酸。这些测量表明酸度的一般顺序，Au(SOsub 3}F)sub 3} > Ta(SOsub 3}F)sub 5} ge} SbFsub 5} > Nb(SOsub 5} 3}F)sub 5} > NbFsub 5}，都产生单质子酸。支持证据来自 sup 1}H、sup 19}F 和 sup 93}Nb NMR 光谱以及成功分离和表征 Cssub n}(M(SOsub 3}F) sub 5+n})，其中 M = Nb 或 Ta 且
• Unexpectedly Complex Crystalline Phases in the MSO ₃ F–Ag(SO ₃ F) ₂ Phase Diagram (M = Na, K, Rb, Cs)
  作者：T. Michałowski、Z. Mazej、A. Budzianowski、Z. Jagličić、P. J. Leszczyński、W. Grochala

  DOI：10.1002/ejic.201402948

  日期：2015.1

  has the composition (Ag0.05Na0.95)(Ag0.65Na0.35)AgII(SO3F)4. The mixed potassium–silver fluorosulfate does not correspond to KI2AgII(SO3F)4 but rather to KAgI2AgII(SO3F)5 [orthorhombic P2221, a = 6.4736(3) A, b = 7.3915(4) A, and c = 17.7736(10) A]. Two rubidium–silver fluorosulfates form as a mixture, one corresponds to RbAgI2AgII(SO3F)5 [orthorhombic P2221, a = 6.4828(6) A, b = 7.3551(7) A, c = 18

  报道了含有 AgII 离子的混合阳离子氟硫酸盐的合成和表征，并将其添加到中等知名的 AgII 化合物化学中。合成的化合物大多表现出不同的结构和组成。混合的氟代硫酸钠-银氟代硫酸钠与 Ag3(SO3F)4（单斜 P21/c，a = 5.2812 A，b = 13.0473 A，c = 19.3557 A，和 β = 100.970°）具有同构，并具有 (Ag0.05Na0. 95)(Ag0.65Na0.35)AgII(SO3F)4。混合的氟硫酸钾-银不对应于 KI2AgII(SO3F)4 而是对应于 KAgI2AgII(SO3F)5 [正交 P2221, a = 6.4736(3) A, b = 7.3915(4) A, and c = 17.7736(10)一种]。两种铷-氟硫酸银形成混合物，一种对应于 RbAgI2AgII(SO3F)5 [正交 P2221, a = 6.4828(6) A
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: S: SVol.3, 3.1.7.6.3.1, page 306 - 307
  作者：

  DOI：——

  日期：——
• Syntheses and properties of FOIF4O, ClOIF4O, HOIF4O, and tetrafluoroperiodates
  作者：Karl O. Christe、Richard D. Wilson、Carl J. Schack

  DOI：10.1021/ic50221a034

  日期：1981.7
• Vibrational Spectra and Structural Aspects of Fluorosulfites
  作者：Andreas Kornath、Frank Neumann、Ralf Ludwig

  DOI：10.1021/ic970315o

  日期：1997.11.1

  The Raman and infrared spectra of the fluorosulfites of K+, Rb+, Cs+, NH4+, and Me4N+ have been examined. Previous assignment of the fundamental;vibrations is revised, and an ab initio study of the SO2F- anion is presented For the pyramidal anion of symmetry C-s, distances of r(S-O) = 1.458 Angstrom and r(S-F) 1.698 Angstrom have been calculated. The heat of formation of Me4NSO2F (-14.0 kcal/mol) was derived from the dissociation pressure of the salt. In addition, the lattice energy of Me4NF (159.2 kcal/mol) was calculated from a thermochemical cycle. The thermochemical data are discussed in terms of reactivity of the fluorides and stability of the fluorosulfites.