| 209392-67-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 209392-67-6
• 化学式: C₂₇H₃₃N₃O₃P₃Re
• 分子量: 726.706
• InChiKey: DUYHZRGJUVMPMA-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：

  mer-[ReCl3(C6H5P(CH3)2)3] 、 sodium isocyanate 以 乙醇 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  Synthese, Struktur und Photolyse von Isocyanatokomplexen des Rheniums

  摘要：

  The Re-III isocyanato complex Re(NCO)(3)(PMe2Ph)(3) yields from the reaction of ReCl3(PMe2Ph)(3) with an excess of NaOCN in EtOH. It crystallizes in the triclinic space group with a = 991.8(6), b = 1180.7(6), c = 1348.8(5) pm, alpha=89.85(1)degrees, beta=94.12(1), gamma=121.56(1)degrees, Z = 2. In the mononuclear complex with an octahedral coordination of the Re atoms the phosphine and isocyanato ligands exhibit a meridional arrangement. By using a deficient amount of NaOCN the mono isocyanato complex Re(NCO)Cl-2(PMe2Ph)(3) is formed, and part of the educt is transformed to its isomer [(Me2PhP)(3)Re(mu-Cl)(3)Re(PMe2Ph)(3)]Cl-3. The mono isocyanato complex forms monoclinic crystals with the space group P2(1)/n and a=1467.5(7), b=1310.6(7), c=1603.2(8)pm, beta=112.08(1)degrees, Z = 4. The isocyanato ligand is in trans position to a CI atom, and the phosphine ligands are coordinated in a meridional arrangement. [(Me2PhP)(3)Re(mu-Cl)(3)Re(PMe2Ph)(3)]Cl-3 . 2EtOH crystallizes in the hexagonal space group P6(3)/m with a = 1332.6(2), c = 2300.1(7) pm, Z = 2. The dinuclear complex cation occupies with its center a special position with the symmetry C-3h Photolysis of Re(NCO)Cl-2(PMe2Ph)(3) results in the cleavage of the isocyanato Ligand with release of CO and formation of the nitrido complex ReNCl2(PMe2Ph)(3). The reaction of ReNCl2(PMe2Ph)(3) with NaOCN affords the complex ReN(NCO)2(PMe2Ph)(3). It crystallizes in the space group P2(1)/n with a = 943.0(3), b = 2635.2(4), c = 1212.6(5) pm, beta=109.88(1)degrees Z = 4. In this nitrido complex, like in the educt, the phosphine ligands form a meridional arrangement. The nitrido ligand is in trans position to an isocyanato group. The distance Re=N is 165.9(6) pm.

  DOI：

  10.1002/(sici)1521-3749(199805)624:5<757::aid-zaac757>3.0.co;2-b