Bis(trans-dichloro-bis(cyclohexylamine))-di-molybdenum(II) | 226383-32-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Bis(trans-dichloro-bis(cyclohexylamine))-di-molybdenum(II)
• 英文别名: cyclohexanamine;molybdenum(2+);tetrachloride
• CAS: 226383-32-0
• 化学式: C₂₄H₅₂Cl₄Mo₂N₄
• 分子量: 730.396
• InChiKey: PUNHDYLJOVSDOX-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  -6.88
• 重原子数：
  34
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  104
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Bis(trans-dichloro-bis(cyclohexylamine))-di-molybdenum(II) 、 三甲基膦 以 甲苯 为溶剂， 以92%的产率得到bis[dichlorobis(trimethylphosphine)molybdenum](Mo-Mo)
  参考文献：
  名称：

  二钼（II，II）的混合氯化物/胺配合物。6.叔膦逐步取代胺，反之亦然：立体化学迟滞。

  摘要：

  研究了四键结合的二钼（II，II）配合物Mo2Cl4（NH2R）4中叔膦在伯胺上的取代反应。已显示在室温下以二取代物种Mo2Cl4（NH2R）2（PR3）2（PR3 = PMe3，NH2R = NH2Prn（1a），NH2But（2a），NH2Cy（3a）; PR3 = PMe2Ph，NH2R = NH2Cy（4a）），同时需要加热以获得完全取代的络合物Mo2Cl4（PR3）4。通过X射线晶体学研究了二取代产物的晶体结构，发现它们全部属于α-异构体，在相同的Mo原子上具有两个膦基。晶体数据如下：对于1a，四边形空间群I4（1 / a），a = 17.737（2）A，c = 15.6915（6）A，Z = 8；对于3a，单斜空间群P2（1）的a = 10.963（3）A，b = 10.117（2）A，c = 13.323（4）A，beta = 90。05（2）度，Z = 2；对于4a，三边形空间群P1具有a

  DOI：

  10.1021/ic9913684
• 作为产物：
  描述：

  、 环己胺 以 四氢呋喃 为溶剂， 以60%的产率得到mer-MoCl3(cyclohexylamine)3
  参考文献：
  名称：

  Mixed Chloride/Amine Complexes of Dimolybdenum(II,II). 3. Preparation, Characterization, and Crystal Structure of Mo₂Cl₄(NH₂R)₄ (R = Et, Prⁿ, Bu^t, Cy):  First Quadruply-Bonded Dimolybdenum Compounds with Primary Amine Ligands

  摘要：

  Four new quadruply-bonded dimolybdenum(II) complexes of the formula Mo2Cl4(NH2R)(4) (R = Et (1), Pr-n (2), Bu-t (3), Cy (4)) have been prepared in excellent yield by reduction of the dimolybdenum(III) complex MO2Cl6(THF)(3) with 2 equiv of sodium amalgam in the presence of the appropriate primary amine. The molecular structures of 2-4 have been investigated by X-ray crystallography. Crystal data are as follows: for 2, orthorhombic space group Ccca with a = 13.328(3) Angstrom, b = 26.639(5) Angstrom, c = 6.774(2) Angstrom, and Z = 4; for 3, monoclinic space group P2(1)/c with a = 19.165(1) Angstrom, b = 20.858(1) Angstrom, c = 14.1400(8) Angstrom, beta = 99.002(5)degrees, and Z = 8; for 4, tetragonal space group P4(2)2(1)2 with a 15.556(4) Angstrom, c = 6.9368(8) Angstrom, and Z = 2. All of the non-centrosymmetric molecules 2-4 possess the same structure characterized by a Mo2Cl4N4 core with D-2d virtual symmetry and slight deviation from the eclipsed geometry. The Mo-Mo bond lengths for 2, 3, and 4 are 2.118(2), 2.1322(6), and 2.117(1) Angstrom, respectively, which are consistent with the Mo-Mo quadruple bond. In addition to the structural data, IR, UV-vis, and H-1 NMR spectroscopy have been used to characterize the complexes 1-4. Without amalgam, the reactions of the starting material with amines also produce the reduced species but with low yields (not exceeding 25%). The main products of these interactions have been found to be mononuclear molybdenum(III) complexes MoCl3(NH2R)(3) This has been confirmed by a single-crystal X-ray diffraction study for mer-MoCl3(NH2Prn)(3). 1/6THF (2a(.)1/6THF) with the following crystal data: triclinic space group P (1) over bar, a = 12.370(2) Angstrom, b = 17.977(2) Angstrom, c = 25.498(6) Angstrom, alpha = 95.32(1)degrees, beta = 103.21(2)degrees, gamma = 103.48(1)degrees, and Z = 12.

  DOI：

  10.1021/ic981289c