tris(pentafluoro-l⁶-tellanyl) stibenite | 63044-20-2

• 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: tris(pentafluoro-l⁶-tellanyl) stibenite
• CAS: 63044-20-2
• 化学式: F₁₅O₃SbTe₃
• 分子量: 837.524
• InChiKey: UWWBKESBLXKREL-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  4.57
• 重原子数：
  22.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  xenon bis(pentafluorotellurate) 、 tris(pentafluoro-l⁶-tellanyl) stibenite 以 further solvent(s) 为溶剂， 以96%的产率得到
  参考文献：
  名称：

  [(F5TeOXe) + · SO2ClF] [Sb (OTeF5) 6-] 的形成和晶体结构

  摘要：

  Xe (OTeF5) 2 在形成[Xe2 (OTeF5) 3] + [Sb (OTeF5) 6] - 的情况下与Sb (OTeF5) 3 反应。从 SO2ClF 溶液中形成黄色溶剂化物 [F5TeOXe] + SO2ClF [Sb (OTeF5) 6] - 形成晶体数据：a = 1028.1 (1), b = 1040.9 (1), c = 1780.2 (3) pm, α = 98.07 (1), β = 97.68 (1), γ = 105.82 (1) °, 空间群。O-Xe…O片段基本上是线性的（176.1（2）°），两个Xe-O距离相差很大197.1（4）和242.6（4）pm。[(F5TeOXe) + · SO2ClF] [Sb (OTeF5) 6-] Xe (OTeF5) 2 的形成和晶体结构与Sb (OTeF5) 3 反应形成[Xe2 (OTeF5) 3] + [Sb (OTeF5)

  DOI：

  10.1002/zaac.200400137
• 作为产物：
  描述：

  boron tris{pentafluoro-oxotellurate(VI)} 、 三氟化锑 以 neat (no solvent) 为溶剂， 生成 tris(pentafluoro-l⁶-tellanyl) stibenite 、 三氟化硼
  参考文献：
  名称：

  Lentz, D.; Seppelt, K., Zeitschrift fur Anorganische und Allgemeine Chemie

  摘要：

  DOI：

文献信息

• Synthesis, Structural Characterization, and Computational Study of the Strong Oxidant Salt [XeOTeF₅][Sb(OTeF₅)₆]·SO₂ClF
  作者：Hélène P. A. Mercier、Matthew D. Moran、Jeremy C. P. Sanders、Gary J. Schrobilgen、R. J. Suontamo

  DOI：10.1021/ic0400890

  日期：2005.1.1

  degrees C. The salt crystallizes from SO(2)ClF as [XeOTeF(5)][Sb(OTeF(5))(6)].SO(2)ClF, and the low-temperature crystal structure was obtained: triclinic, P, a = 9.7665(5) A, b = 9.9799(4) A, c = 18.5088(7) A, alpha = 89.293(2) degrees , beta = 82.726(2) degrees , gamma = 87.433(3) degrees , V = 1787.67(13) A(3), Z = 2, and R(1) = 0.0.0451 at -173 degrees C. Unlike MF(6)(-) in [XeF][MF(6)] (e.g., M = As

  Bi）和[XeOTeF（5）] [AsF（6）]，Sb（OTeF（5））（6）（-）阴离子的碱性显着降低，并且不与配位不饱和氙（II）阳离子相互作用。相反，XeOTeF（5）（+）阳离子和弱路易斯碱SO（2）ClF通过SO（2）ClF的氧原子与氙的配位相互作用[Xe ... O，2.471（5）A] 。XeOTeF（5）（+）。SO（2）ClF加合物阳离子也已通过低温拉曼光谱法进行了研究，提供了已分配给加成的SO（2）ClF的频率。XeOTeF（5）（+）。SO（2）ClF和Sb（OTeF（5））（6）（-）的固态拉曼光谱已借助电子结构计算进行了分配。除了优化的几何形状和振动频率外，理论数据还包括气相供体-受体键能，自然键轨道（NBO）分析，以及基于电子本地化功能（ELF）的拓扑分析，提供了XeOTeF（5）（+）。SO（2）ClF和相关系统中的键合描述。量子力学计算为XeOTeF（5）（+）中的Xe
• Syvret, Robert G.; Mitchell, Kenneth M.; Sanders, Jeremy C. P., Inorganic Chemistry, 1992, vol. 31, # 16, p. 3381 - 3385
  作者：Syvret, Robert G.、Mitchell, Kenneth M.、Sanders, Jeremy C. P.、Schrobilgen, Gary J.

  DOI：——

  日期：——
• Casteel Jr., William J.; Kolb, Peter; LeBlond, Nicolas, Inorganic Chemistry, 1996, vol. 35, # 4, p. 929 - 942
  作者：Casteel Jr., William J.、Kolb, Peter、LeBlond, Nicolas、Mercier, Helene P. A.、Schrobilgen, Gary J.

  DOI：——

  日期：——
• Hexakis(pentafluorooxotellurato)pnictate(V) Anions, M(OTeF5)6- (M = As, Sb, Bi): A Series of Very Weakly Coordinating Anions
  作者：Helene P. A. Mercier、Jeremy C. P. Sanders、Gary J. Schrobilgen

  DOI：10.1021/ja00086a025

  日期：1994.4

  The weakly coordinating pnicogen anion series, M(OTeF5)(6-) (M = As, Sb, Bi), has been synthesized as their tetraalkylammonium salts and have been structurally characterized by X-ray crystallography, F-19, As-75, Sb-121,Sb-123, Te-125, Bi-209 NMR spectroscopy, and Raman spectroscopy. The following crystal structures are reported: N(CH3)(4)As-+(OTeF5)(6-), trigonal system, space group , a = 10.109(2) Angstrom, c = 55.443(18) Angstrom, V = 4907 Angstrom(3), D-calc = 3.209 g cm(-3), Z = 6, R = 0.0644; N(CH3)(4)Sb-+(OTeF5)(6-), monoclinic system, space group: C2/c, a = 17.875(3) Angstrom, b = 10.448(2) Angstrom, c = 19.752(2) Angstrom, beta = 110.83(1)degrees, V = 3447.8 Angstrom(3), D-calc = 3.135 g cm(-3), Z = 4, R = 0.0710; N(CH2CH3)(4)Sb-+(OTeF5)(6-), monoclinic system,space group C2/c, a = 10.506(3) Angstrom, b = 18.370(6) Angstrom, c = 20.352(7) Angstrom, beta = 91.23(2)degrees, V = 3926.9 Angstrom(3), D-calc = 2.848 g cm(-3), Z = 4, R = 0.0548; N(CH3)(4)Bi-+(OTeF5)(6-), triclinic system, space group , a = 8.945(2) Angstrom, b = 9.217(2) Angstrom, c = 10.029(2) Angstrom, alpha = 100.03(3)degrees, beta = 99.95(3)degrees, gamma = 98.06(3)degrees, V = 789.5 Angstrom(3), D-calc = 3.606 g cm(-3), Z = 1, R = 0.0456. The central pnicogen atoms of the anions are bonded octahedrally to the six oxygen atoms and each of the six tellurium atoms is octahedrally bonded to an oxygen and five fluorines. Each anion structure can be described as composed of an octahedron of octahedra. Average M-O bond distances (corrected for libration) and M-O-Te bond angles are As-O = 1.807 Angstrom, Sb-O = 1.96/1.91 Angstrom, Bi-O = 2.065 Angstrom and As-O-Te = 140(2)degrees, Sb-O-Te = 150.9(8)/162.8(9)degrees, Bi-O-Te = 136.2(3)degrees. Low electric field gradients at the pnicogen nuclei result in spin-lattice relaxation times which are sufficiently long to allow for the observation of the NMR spectra of the four quadrupolar pnicogen nuclei and their couplings to Te-125. The anions are nonlabile on the NMR time scale in both SO2ClF and CH3CN solvents. Key frequencies,in the Raman spectra of the three anions have been assigned. The M(OTeF5)(6-) anions are likely to be weaker OTeF5- donors and less basic than,current examples of weakly coordinating anion derivatives of the OTeF5 group, i.e., B(OTeF5)(4-), Pd(OTeF5)(4)(2-), Nd(OTeF5)(6-) and Ti(OTeF5)(6)(2-).