fac-tricarbonylchlorobis(pyridazine)rhenium(I) | 155209-48-6

• 英文名称: fac-tricarbonylchlorobis(pyridazine)rhenium(I)
• CAS: 155209-48-6
• 化学式: C₁₁H₈ClN₄O₃Re
• 分子量: 465.87
• InChiKey: OJPBHFOZHIFOHQ-UHFFFAOYSA-M

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：

  哒嗪 、 五羰基氯铼(I) 以 氯仿 为溶剂， 以81%的产率得到fac-tricarbonylchlorobis(pyridazine)rhenium(I)
  参考文献：
  名称：

  1,2-Metallotropic shifts in trimethylplatinum(IV) and tricarbonylrhenium(I) halide complexes of pyridazine and 4-methylpyridazine

  摘要：

  Pyridazine (pydz) and 4-methylpyridazine (4Me-pydz) form stable bis(monodentate) complexes of general formulae fac-[PtXMe3L2] (X = Cl, Br or l) and fac-[ReX(CO)3L2] (X = Cl, Br or l). These complexes in above-ambient temperature solutions exhibit 1,2-fluxional shifts between the nitrogen donor pairs of each ring. All linkage isomers of the pydz complexes are equivalent whereas three NMR-distinct linkage isomers, namely (1,1), (1,2)/(2,1) and (2,2) species, occur in solutions of the 4Me-pydz complexes. Fluxional exchange kinetics have been measured by variable-temperature H-1 NMR bandshape analysis and two-dimensional exchange spectroscopy (EXSY). Platinum-195 NMR data have been obtained for the complexes [PtXMe3(4Me-pydz)2] (X = Br or I) and their fluxional dynamics investigated by Pt-195 two-dimensional EXSY and total bandshape analysis. Energy barriers, DELTAG(double dagger) (298.15 K) for the 1,2-M-N fluxion are in the ranges 69-74 kJ mol-1 for the Pt(IV) complexes and 84-90 kJ mol-1 for the Re(I) complexes. The crystal structure of [PtClMe3(pydz)2] shows the cis pydz rings oriented in a propeller arrangement with their unco-ordinated nitrogens oriented away from the cis positioned chlorine.

  DOI：

  10.1039/dt9940000445