2-hydroxyphenyl(6-methyl-2-pyridylmethaneimine) | 288073-44-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-hydroxyphenyl(6-methyl-2-pyridylmethaneimine)
• 英文别名: 2-[(6-Methylpyridin-2-yl)methylideneamino]phenol
• CAS: 288073-44-9
• 化学式: C₁₃H₁₂N₂O
• 分子量: 212.251
• InChiKey: AIEQNXMDDDNOBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  45.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  甲醇 、 bis(acetylacetonato)manganese(II) 、 2-hydroxyphenyl(6-methyl-2-pyridylmethaneimine) 以 丙酮 为溶剂， 生成 bis(2-hydroxyphenyl(6-methyl-2-pyridylmethaneimine)(-1H))manganese(II)*(methanol)
  参考文献：
  名称：

  Star-Shaped Molecule of Mn^II₄O₆ Core with an S_t = 10 High-Spin State. A Theoretical and Experimental Study with XPS, XMCD, and Other Magnetic Methods

  摘要：

  We report a comprehensive study of the electronic and magnetic properties of a star-shaped molecule comprising a (Mn4O6)-O-II core. One feature of this compound is weak magnetic coupling constants compared to other similar polyoxo compounds. This leads to complicated low-lying magnetic states in which the ground state is not well separated from the upper-lying states, yielding a high-spin molecule with a giant magnetic moment of up to 20 mu(B)/formula unit. We apply X-ray diffraction and magnetometry as well as other X-ray spectroscopic techniques, namely, X-ray photoelectron spectroscopy, X-ray magnetic circular dichroism, and X-ray emission spectroscopy. We compare our experimental results with ab initio electronic band structure calculations as well as the localized electronic structure around the Mn2+ ions with charge-transfer multiplet calculations.

  DOI：

  10.1021/ic7023007