tetrabutylammonium pentafluorotellurate(IV) | 70995-13-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: tetrabutylammonium pentafluorotellurate(IV)
• CAS: 70995-13-0
• 化学式: C₁₆H₃₆N*F₅Te
• 分子量: 465.061
• InChiKey: FCYIJAYGKONLBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.72
• 重原子数：
  23.0
• 可旋转键数：
  12.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  四丁基氟化铵 在 tellurium oxide 、 氢氟酸 作用下， 以93.8%的产率得到tetrabutylammonium pentafluorotellurate(IV)
  参考文献：
  名称：

  六氟化碲的叠氮基和二甲基氨基衍生物

  摘要：

  通过19 F NMR光谱已经确定，TeF 6和Me 3 SiX（X = N 3或NMe 2）反应形成化合物TeF n X 6 – n（n = 1-5）。TeF 6与Me 3 SiNMe 2以1：2的比例反应，得到TeF 5（NMe 2），顺式-TeF 4（NMe 2）2和fac -TeF 3（NMe 2）3的混合物。TeF 4为1：4得到（NMe 2）2（两种异构体），TeF 2（NMe 2）4（两种异构体）和TeF（NMe 2）5。TeF 6与Me 3 SiN 3以1：1的比例反应，以TeF 5（N 3）和cis -TeF 4（N 3）2为主要成分，微量的反式-TeF 4（N 3）2和fac -TeF 3（N 3）3。最初的1：2反应导致除mer -TeF 3（N 3） 3以外的所有成员，而TeF 5（N 3）和反式-TeF 4（N 3） 2逐渐消失。在两个叠氮化物反应中均出现未知的碲（

  DOI：

  10.1039/dt9920002899

文献信息

• 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.