fac-tricarbonyltris(N-methylimidazole)rhenium(I) hexafluorophosphate | 1016539-65-3

• 英文名称: fac-tricarbonyltris(N-methylimidazole)rhenium(I) hexafluorophosphate
• 英文别名: [Re(CO)3(N-methylimidazole)3][PF6]；[Re(CO)3(N-MeIm)3][PF6]
• CAS: 1016539-65-3
• 化学式: C₁₅H₁₈N₆O₃Re*F₆P
• 分子量: 661.517
• InChiKey: CBDRLWULGZWZPZ-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：

  N-甲基咪唑 、 以 水 为溶剂， 以59%的产率得到fac-tricarbonyltris(N-methylimidazole)rhenium(I) hexafluorophosphate
  参考文献：
  名称：

  Re（CO）3（H2O）3（+）合成子与单齿配体在水性条件下的反应。

  摘要：

  氨，吡啶（py），N-甲基咪唑（N-MeIm），四氢噻吩（tht）和哌啶（pip）与Re（CO）3（H 2O）3（+），1（+）的反应在大气压双氧下采用水性条件进行了研究。[1] Br在氨水中的反应导致[Re（CO）3（NH 3）3] Br（[2] Br）分离出唯一的产物。对于[1] Br与py，N-MeIm和tht的水反应，由于溴化物和添加的配体之间存在竞争，因此形成了产物混合物，即使该配体过量存在也是如此。PF 6（-）阴离子替代Br（-）导致[Re（CO）3L 3] [PF 6]（[3] [PF 6]-[5] [PF 6]）的干净形成。 py，N-MeIm和tht，分别是唯一观察到的产物。[1] [PF 6]与pip反应生成二聚体，（pip）（CO）3Re（micro-OH）2Re（CO）3（pip），6。为了比较，还在甲醇中进行了[1] Br的反应。在这种溶剂中与pip的反应生成类

  DOI：

  10.1021/ic800363w

文献信息

• Second-sphere interaction of anions with a weakly binding metal complex host: probing the effect of counteranions
  作者：Julio Pérez、Lucía Riera、Laura Ion、Víctor Riera、Kirsty M. Anderson、Jonathan W. Steed、Daniel Miguel

  DOI：10.1039/b715599a

  日期：——

  The reaction of [Re(OTf)(CO)5] with N-methylimidazole (MeIm) afforded [Re(CO)3(MeIm)3]OTf (1). The reactions of 1 with KPF6, NaBPh4 and NaBAr′4 (Ar′ = 3,5-bis(trifluoromethyl)phenyl) afforded [Re(CO)3(MeIm)3]PF6 (2) [Re(CO)3(MeIm)3]BPh4 (3) and [Re(CO)3(MeIm)3]BAr′4 (4) respectively. An analogous reaction using N-phenylimidazole (PhIm) yielded [Re(CO)3(PhIm)3]BAr′4 (7). These new compounds were characterized by IR and NMR, and the structures of 1 and 2 were determined by X-ray diffraction. Compounds [Re(CO)3(MeIm)3]2[PtCl6] (5), [Re(CO)3(MeIm)3][HSO4] (6), [Re(CO)3(PhIm)3][Br] (8) and [Re(CO)3(PhIm)3][NO3] (9) were crystallized from equimolar mixtures of either 4 or 7 and the tetrabutylammonium salt of the corresponding anion, and their structures were determined by X-ray diffraction. The solution behavior of 1–4, 7 toward several anions was studied spectroscopically, including the quantitative determination of binding constants by 1H NMR. The cationic tris(imidazole)complexes are stable against imidazole-by-anion substitution, and the main hydrogen bonding interactions involve the imidazole NC(H)N groups. The binding constants for compounds 1–4 with several external anions follow the order 1 < 2 < 3 < 4, indicating that the strength of the cationic complex–counteranion interaction follows the order OTf− > PF6− > BPh4− > BAr′4−.

  BPh4− > BAr′4−。