W(CO)5(pyrrole) | 222189-05-1

• 英文名称: W(CO)5(pyrrole)
• 英文别名: W(CO)5(cyclo-C4H4NH)
• CAS: 222189-05-1
• 化学式: C₉H₅NO₅W
• 分子量: 390.992
• InChiKey: AUASYJOIHMBAQH-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：

  吡咯 、 六羰基钨 以 环己烷 为溶剂， 生成 W(CO)5(pyrrole)
  参考文献：
  名称：

  Reaction of the Transient Species W(CO)₅(Cyclohexane) with Pyrrolidine and with Pyrrole

  摘要：

  Time-resolved infrared spectroscopy is used to examine the reactions of the transient intermediate W(CO)(5)(CyH) (CyH = cyclohexane), formed by photolysis of a cyclohexane solution Of W(CO)(6), with L = pyrrole and pyrrolidine. Time- and temperature-dependent rate constants]or the ligand substitution reaction to form W(CO)(5)(L) are determined. These reactions appear to go through an associative interchange mechanism. Eyring activation parameters for the ligand exchange are derived. For L = pyrrolidine, DeltaH(double dagger) = 1.8 +/- 0.1 kcal mol(-1) and AS(double dagger)= -18.9 +/- 0.4 eu; for L = pyrrole, DeltaH(double dagger) = 5.1 +/- 0.2 kcal mol(-1) and DeltaS(double dagger) = -11.6 +/- 1.2 eu. Most unusually, the observed pseudo-first-order rate constant for reaction with pyrrole is not a linear function of pyrrole concentration. This deviation from simple first-order behavior is explained in terms of association of pyrrole in solution to form dimers and higher clusters that lower the ligand's effective concentration. The enthalpy of dimerization of pyrrole is estimated from the kinetic data to be approximately 4 kcal mol(-1). The results of reaction Of W(CO)(5)(CyH) with pyrrole and pyrrolidine are discussed in terms, of the behavior of this intermediate with other ligands.

  DOI：

  10.1021/om0300530