β-[Na(crypt-2,2,2)][W(CPh)(OC(CH3)3)4] | 572914-64-8

• 英文名称: β-[Na(crypt-2,2,2)][W(CPh)(OC(CH3)3)4]
• CAS: 572914-64-8
• 化学式: C₁₈H₃₆N₂O₆*C₂₃H₄₁O₄W*Na
• 分子量: 964.91
• InChiKey: BQRFUFNZJUYKAN-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：

  、 4,7,13,16,21,24-六氧-1,10-二氮双环[8.8.8]二十六烷 以 四氢呋喃 为溶剂， 生成 β-[Na(crypt-2,2,2)][W(CPh)(OC(CH3)3)4]
  参考文献：
  名称：

  Effects of cation–anion interactions on the structures and photophysical properties of anionic d0 tungsten–benzylidyne complexes

  摘要：

  The structures and photophysical properties of anionic tungsten-benzylidyne complexes of the type [Na(L)][W(dropCPh)(OBut)(4)] ([Na(L)] 1; L = blank, 15-crown-5, crypt-2,2,2) are strongly dependent on the nature of the [Na(L)](+) ion. The structures of the I ions are qualitatively similar, consisting of square-pyramidal tungsten centers with short W=C bonds, but differ as a function of cation in the extent of their Na-OBut interactions, the geometries of their OBut ligands, and their W-O bond distances. The I ions exhibit long-lived luminescence (iota > 1 mus) in fluid solution and the solid state at room temperature. The emission lifetimes and energies are cation dependent even in polar solvents, indicating the presence of [Na(L)](+)/1(-) ion pairs in solution for some L. The emissive state is a spin triplet of either [pi(W=CPh)](1)[d(xy)](1) or [pi(W=CPh)](1)[pi*(W=CPh)](1) configuration. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01292-6