| 175409-37-7

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• CAS: 175409-37-7
• 化学式: C₁₄H₃₂MoN₂O₃Si₃
• 分子量: 456.616
• InChiKey: PXODSJGXIKUZMK-UHFFFAOYSA-N

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：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  吡啶 、 Mo2N2(η-OSiMe3)2(OSiMe3)4(NH3)2 以 吡啶 为溶剂， 生成
  参考文献：
  名称：

  Syntheses, molecular structures, and dynamic solution behavior of nitrido (oxo) molybdenum(VI) siloxides

  摘要：

  Cocondensation reaction of MoO3 with hexamethyldisilazane, followed by work-ups produced the nitrido molybdenum(VI) compounds, [MoN(OSiMe3)(3)(NH3)](2) (1), [MoN(OSiMe3)(3)(py)] (2), and a very unusual mu(2)-oxo-mu(2)-nitrido tetranuclear molybdenum(VI) compound, [Mo2N2O(OSiMe3)(4)(py)(2)](2). 2py (3). When 1 is reacted with excess methanol it results in another oxonitrido Mo(VI) compound, Mo4N4O2(OH)(8)(H2O)(MeOH)(3) (4). The compounds were characterized by elemental analyses, FT-IR, H-1 and C-13 NMR, mass spectrometry, and by single-crystal X-ray diffraction for 1 and 3. Compound 1 is dimeric in the solid state with two bridging siloxo groups; however, in toluene solution and at ambient temperature, the dimer readily dissociates into the monomer. The molecular geometry changes rapidly via a pseudorotation process as deduced from the variable temperature H-1 and 13C NMR Study However, as the temperature is lowered, monomer<->dimer equilibrium is attained. The Delta G(not equal) for the pseudorotation of 1 is 13.1 kcal mol(-1) and Delta G(not equal) for the monomer<->dimer association is 9.9 kcal mol(-1). Compound 2 is also fluxional, but remains monomeric in toluene solution down to 190 K. The Delta G(not equal) for the pseudorotation of 2 is 12.2 kcal mol(-1). In contrast, 3 is tetranuclear in the solid state and is not fluxional in solution. Instead, it is slowly disproportionated to 2 and, presumably, an oxonitrido Mo(VI) pyridine adduct. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(00)00423-x

文献信息

• Formation of mononuclear nitrido complexes of chromium(<scp>VI</scp>) and molybdenum(<scp>VI</scp>); syntheses and X-ray crystal structures of NCr(OBu^t)₃and NMo(OSiMe₃)₃(py)
  作者：Hsin-Tien Chiu、Yi-Pin Chen、Shiow-Huey Chuang、Jiung-Shung Jen、Gene-Hsiang Lee、Shie-Ming Peng

  DOI：10.1039/cc9960000139

  日期：——

  Mononuclear nitrido complexes of Cr and Mo, N=Cr(OBu(t))(3) and N=Mo(OSiMe(3))(3)(py), are synthesized; the chromium complex has an idealized C-3v symmetry while the molybdenum complex has a distorted square-pyramidal geometry with the nitrido ligand at apical position; the N-Cr distance is 1.538(5) Angstrom while the average N-Mo distance is 1.627 Angstrom.