ethyltrioxorhenium(VII) | 131457-01-7

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: ethyltrioxorhenium(VII)
• 英文别名: Ethylrheniumtrioxid；ethyltrioxorhenium；ETO
• CAS: 131457-01-7
• 化学式: C₂H₅O₃Re
• 分子量: 263.267
• InChiKey: HLCHUVHXGPGYOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.61
• 重原子数：
  6.0
• 可旋转键数：
  1.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  51.21
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  ethyltrioxorhenium(VII) 以 乙腈 为溶剂， 生成 rhenium trioxide
  参考文献：
  名称：

  Herrmann, Wolfgang A.; Kühn, Fritz E.; Fiedler, Dirk A., Organometallics, 1995, vol. 14, # 11, p. 5377 - 5381

  摘要：

  DOI：
• 作为产物：
  描述：

  四乙基锡 、 rhenium(VII) oxide 以0%的产率得到ethyltrioxorhenium(VII)
  参考文献：
  名称：

  Herrmann, Wolfgang A.; Kuehn, Fritz E.; Romao, Carlos C., Chemische Berichte, 1994, vol. 127, # 1, p. 47 - 54

  摘要：

  DOI：

文献信息

• Structure and vibrational properties of ethyltrioxorhenium(vii), C2H5ReO3, investigated by gas electron diffraction, single crystal X-ray diffraction, IR spectroscopy and quantum chemical calculations
  作者：Anthony J. Downs、Martin R. Geisberger、Jennifer C. Green、Tim M. Greene、Arne Haaland、Wolfgang A. Herrmann、Leigh J. Morris、Simon Parsons、Wolfgang Scherer、Hans Vidar Volden

  DOI：10.1039/b204235p

  日期：——

  The electron diffraction pattern of gaseous ethyltrioxorhenium(VII) has been analysed in terms of a C2H5ReO3 molecule with Cs symmetry overall. Least-squares refinement yields the following dimensions (ra in Å, angles in deg): Re–C 2.095(6), C–C 1.530(16), Re–O 1.711(2), C–H 1.106(13), Re–C–C 112.0(9), and O–Re–C 104.6(5). The compound forms monoclinic crystals [a = 6.421(3), b = 5.111(2), c = 15.108(5) Å; β = 98.01(4)° at 150 K] composed of discrete molecules little different dimensionally from the gaseous species. Both the structure and IR spectrum of the molecule isolated in an Ar matrix are well reproduced by density functional theory (DFT) calculations. There is no hint of anything unusual about the geometry of the C2H5Re fragment, but the C–C–Re skeleton is appreciably stiffer to bending at the Cα atom than is the C–C–Ti skeleton in the titanium compound C2H5TiCl3.

  气态乙基三氧化铼（VII）的电子衍射图谱是根据总体上具有 Cs 对称性的 C2H5ReO3 分子进行分析的。最小二乘细化得出以下尺寸（ra 单位为埃，角度单位为度）：Re-C 2.095(6)、C-C 1.530(16)、Re-O 1.711(2)、C-H 1.106(13)、Re-C-C 112.0(9)和 O-Re-C 104.6(5)。该化合物形成单斜晶体[a = 6.421(3)，b = 5.111(2)，c = 15.108(5)埃；在 150 K 时，β = 98.01(4)°]，由离散分子组成，与气态物质的尺寸差别不大。密度泛函理论（DFT）计算很好地再现了分离在氩基质中的分子的结构和红外光谱。C2H5Re 片段的几何形状没有任何不寻常之处，但 C-C-Re 骨架在 Cα 原子处的弯曲硬度明显高于钛化合物 C2H5TiCl3 中的 C-C-Ti 骨架。
• Herrmann, Wolfgang A.; Romao, Carlos C.; Fischer, Richard W., Angewandte Chemie, 1991, vol. 103, p. 183 - 185
  作者：Herrmann, Wolfgang A.、Romao, Carlos C.、Fischer, Richard W.、Kiprof, Paul、Bellefon de Meric, Claude de

  DOI：——

  日期：——
• Multiple Bonds between Transition Metals and Main-Group Elements. 142. Lewis-Base Adducts of Organorhenium(VII) Oxides: Structures and Dynamic Behavior in Solution
  作者：Wolfgang A. Herrmann、Fritz E. Kuehn、Monika U. Rauch、Joao D. G. Correia、Georg Artus

  DOI：10.1021/ic00115a019

  日期：1995.5

  Organorhenium(VII) oxides such as methyltrioxorhenium(VII) (1) and its longer-chain alkyl derivatives form 1:1 and 1:2 adducts with nitrogen-donor Lewis bases. These compounds adopt well-defined structures in the solid state. In solution, they undergo exchange of both the metal-coordinated base ligands and the oxo ligands. The synthesis and crystal structure (X-ray diffraction study) of the amino-functionalized complex O3Re-CH2CH2CH2N(C5H10) (3a) is reported. Crystal data are as follows: monoclinic, space group P2(1)/c, a = 8.327(2) Angstrom, b = 11.516(1) Angstrom, c = 10.864(2) Angstrom, beta = 101.54(7)degrees R = 0.028 for 1747 reflections. Compounds of type 3a are intramolecular base adducts in the solid state, but rigid geometries in solution can only be observed at low temperatures.
• A Cheap, Efficient, and Environmentally Benign Synthesis of the Versatile Catalyst Methyltrioxorhenium (MTO)
  作者：Wolfgang A. Herrmann、Alexandra M. J. Rost、Josef K. M. Mitterpleininger、Normen Szesni、Stefanie Sturm、Richard W. Fischer、Fritz E. Kühn

  DOI：10.1002/anie.200703017

  日期：2007.9.24
• Alkylrhenium Oxides from Perrhenates: A New, Economical Access to Organometallic Oxide Catalysts
  作者：Wolfgang A. Herrmann、Roland M. Kratzer、Richard W. Fischer

  DOI：10.1002/anie.199726521

  日期：1997.12.15