| 135899-79-5

• 分子结构分类: 有机化合物
• CAS: 135899-79-5
• 化学式: C₄H₁₂N*F₅OTe
• 分子量: 312.737
• InChiKey: RDXYQHRINRQBSE-UHFFFAOYSA-M

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：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  、 四甲基氟化铵 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Christe, Karl O.; Dixon, David A.; Sanders, Jeremy C. P., Inorganic Chemistry, 1993, vol. 32, # 19, p. 4089 - 4093

  摘要：

  DOI：

文献信息

• High-coordination number fluoro- and oxofluoro-anions; IF₆O^–, TeF₆O^2–, TeF₇^–, IF₈^–and TeF₈^2–
  作者：Karl O. Christe、Jeremy C. P. Sanders、Gary J. Schrobilgen、William W. Wilson

  DOI：10.1039/c39910000837

  日期：——

  The novel hypervalent, highly coordinated, high-oxidation state anions IF6O–, TeF6O2–, TeF7–, IF8– and TeF82– have been synthesized in anhydrous MeCN using anhydrous N(Me)4+F– as the fluoride ion source; the anions have been characterized by NMR and vibrational spectroscopy and represent novel examples of seven and eight-coordinate species having symmetries C5v(IF6O–, TeF6O2–), D5h, (TeF7–) and D4d(IF8–, TeF82–).

  新型的高价、强配位、高氧化态阴离子 IF6O–、TeF6O2–、TeF7–、IF8– 和 TeF82– 已在无水的醯胺中合成，使用无水的 N(Me)4+F– 作为氟离子源；这些阴离子通过核磁共振（NMR）和振动光谱学进行了表征，代表了具有 C5v（IF6O–、TeF6O2–）、D5h（TeF7–）以及 D4d（IF8–、TeF82–）对称性的七配位和八配位物种的新颖例子。
• Pentafluoro-oxotellurate(VI) Anions of Mercury(II); Syntheses and Structures of [Hg(OTeF₅)₄]^2–, [Hg(OTeF₅)₅]^3–, [Hg₂(OTeF₅)₆]^2–, [Hg(OTeF₅)₄]^2–·Hg(OTeF₅)₂, and [Hg₂(OTeF₅)₇]^3–·Hg(OTeF₅)₂
  作者：John R. De Backere、Hélène P. A. Mercier、Gary J. Schrobilgen

  DOI：10.1021/ic502602p

  日期：2015.2.16

  [Hg(OTeF5)5]3–, [Hg2(OTeF5)6]2–, and Cs2[Hg(OTeF5)4]·Hg(OTeF5)2. The calculated geometries were used to assess the effects of solid-state interionic interactions on the anion geometries. For the most part, the gross gas-phase trigonal bipyramidal (tbp) geometry of [Hg(OTeF5)5]3– adheres to the predicted VSEPR geometry but contrasts with the solid-state anion structures, which have square-pyramidal geometries or

  合成了F 5 TeO-（叶酸）基团中的汞（II）阴离子。盐[N（CH 2 CH 3）4 ] 2 [Hg（OTeF 5）4 ]，[N（CH 3）4 ] 3 [Hg（OTeF 5）5 ]，[N（CH 2 CH 3）4 ] 3 [Hg（OTeF 5）5 ]，[N（CH 3）4 ] 2 [Hg 2（OTeF 5）6通过反应，得到Cs 2 [Hg（OTeF 5）4 ]·Hg（OTeF 5）2和Cs 3 [Hg 2（OTeF 5）7 ]·Hg（OTeF 5）2 }·4SO 2 ClF。 Hg（OTeF 5）2与[M] [OTeF 5 ]的关系（M = [N（CH 3）4 ] +，[N（CH 2 CH 3）4 ] +，Cs +），并通过低温单晶X射线衍射和低温拉曼光谱进行表征。与[HgF 3 ] -和[HgF 4 ] 2–的广泛桥连的固态结构不同，Hg（II）阴离子的碱性较低且空间要求更高的叶酸配体显
• Synthesis and Characterization by ¹⁹F and ¹²⁵Te NMR and Raman Spectroscopy of <i>cis-</i>ReO₂(OTeF₅)₃ and <i>cis</i>-ReO₂(OTeF₅)₄^-, and X-ray Crystal Structure of [N(CH₃)₄⁺][<i>cis-</i>ReO₂(OTeF₅)₄^-]
  作者：William J. Casteel、Dianne M. MacLeod、Hélène P. A. Mercier、Gary J. Schrobilgen

  DOI：10.1021/ic960597c

  日期：1996.1.1

  The (19)F and (125)Te NMR spectra show that the axial and equatorial OTeF(5) groups of ReO(2)(OTeF(5))(3) are fluxional and are consistent with intramolecular exchange by means of a pseudorotation. The Lewis acid behavior of ReO(2)(OTeF(5))(3) is demonstrated by reaction with OTeF(5)(-). The resulting cis-ReO(2)(OTeF(5))(4)(-) anion was characterized as the tetramethylammonium salt in solution by (19)F

  由ReO（2）F（3）与B（OTeF（5））（3）的反应合成了五氟氧碲酸酯化合物ReO（2）（OTeF（5））（3），并在溶液中的结构特征为（19） F和（125）Te NMR光谱，以及通过拉曼光谱测定的固态。核磁共振和振动光谱发现与三角双锥体排列一致，其中氧原子和OTeF（5）基团占据赤道平面。（19）F和（125）Te NMR光谱显示ReO（2）（OTeF（5））（3）的轴向和赤道OTeF（5）基团是通量的并且与通过拟旋转的分子内交换一致。ReO（2）（OTeF（5））（3）的路易斯酸行为通过与OTeF（5）（-）反应来证明。通过（19）F和（125）Te NMR光谱将所得的顺式ReO（2）（OTeF（5））（4）（-）阴离子表征为溶液中的四甲基铵盐，并通过拉曼光谱和固体表征为固态X射线晶体学。该化合物在三斜晶系空间群P＆onemacr;中结晶，a = 13.175（7）Å，b = 13
• The Te(OTeF5)5- and FTe(OTeF5)4- Anions: Synthesis, X-ray Structure Determinations, and Raman Spectra of Te(OTeF5)4 and N(CH3)4+Te(OTeF5)5- and Solution Characterization of the FTe(OTeF5)4- and Te(OTeF5)5- Anions by 19F and 125Te NMR Spectroscopy
  作者：Helene P. A. Mercier、Jeremy C. P. Sanders、Gary J. Schrobilgen

  DOI：10.1021/ic00125a027

  日期：1995.10

  The Lewis acid behavior of Te(OTeF5)4(4) toward the OTeF5- anion has been investigated, and the resulting Te(OTeF5)(5)(-) and FTe(OTeF5)(4)(-) anions have been structurally characterized in solution as the tetramethylammonium and tetraethylammonium salts by F-19 and Te-125 NMR spectroscopy. The crystal structures and Raman spectra are reported for Te(OTeF5)(4) and N(CH3)(4)Te-+(OTeF5)(5)(-). The former compound crystallizes in the triclinic system, space group P (1) over bar, with a 9.502(3) Angstrom, b = 9.748(5) Angstrom, c 10.603(4) Angstrom, alpha = 85.73(4)degrees, beta = 72.50(3)degrees, and gamma. = 71.26(3)degrees at -97 degrees C; V = 886.7(6) Angstrom(3); D-calc = 4.052 g cm(-3) for Z = 2; R(1) = 0.0239. The salt, N(CH3)(4)Te-+(OTeF5)(5)(-), crystallizes in the orthorhombic system, space group Pbca, with a 11.021(2) Angstrom, b = 20.096(5) Angstrom, c = 27.497(5) Angstrom at 24 degrees C; V = 6090(2) Angstrom(3); D-calc = 3.042 g cm(-3) for Z = 8; wR = 0.0781. The Te(OTeF5)(4) molecule is a disphenoid and is consistent with an AX(4)E VSEPR geometry in which a lone electron pair and two OTeF5 groups occupy the equatorial plane and two OTeF5 groups occupy the axial positions of a trigonal bipyramid. Two secondary Te-IV... F contacts arising from two nearest neighbor Te(OTeF5)4 molecules give rise to a chain structure in which the coordination about Te-IV is best described as a distorted octahedral (AX(4)Y(2)E) VSEPR arrangement. The central Te-IV atom of the Te(OTeF5)(5)(-) anion is bonded to five OTeF5 groups, so that the gross geometry about the Te-IV atom can be described as pseudo-octahedral. The presence of a bulky OTeF5 group in the axial position influences the conformational relationships of the equatorial OTeF5 groups. Solution NMR studies establish that the FTe(OTeF5)(4)(-) anion is pseudo-octahedral about the: Te-IV atom and that the fluorine bonded to Te-IV is in the axial position opposite the lone electron pair. The coordination in the Te-IV valence shells of the Te(OTeF5)(5)(-) and FTe(OTeF5)(4)(-) anions is consistent with an AX(5)E VSEPR arrangement of five bond pairs and a lone electron pair. The Te(OTeF5)(5)(-) and TeF5- anions were shown to undergo ligand redistribution and, with the exception of FTe(OTeF5)(4)(-), the intermediate FnTe(OTeF5)(5-n)(-) anions were found to be labile on the NMR time scale.
• 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-).