[Mn(II)(thiocyanate-N)2(2-hydroxy-6-methylpyridine)4] | 1310358-35-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: [Mn(II)(thiocyanate-N)2(2-hydroxy-6-methylpyridine)4]
• CAS: 1310358-35-0
• 化学式: C₂₆H₂₈MnN₆O₄S₂
• 分子量: 607.616
• InChiKey: LRISRJURDTXDJH-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：

  2-羟基-6-甲基吡啶 、 硫氰酸铵 、 manganese(II) chloride tetrahydrate 以 甲醇 为溶剂， 以67%的产率得到[Mn(II)(thiocyanate-N)2(2-hydroxy-6-methylpyridine)4]
  参考文献：
  名称：

  Structural, spectroscopic and magnetic properties of Mn(II), Co(II) and Ni(II) complexes with 2-hydroxy-6-methylpyridine ligand

  摘要：

  New [M(SCN)(2)(L)(4)] complexes, where M = Mn(II), Co(II), Ni(II) and L = 2-hydroxy-6-methylpyridine were synthesized. Electronic structures of the complexes were calculated using DFT method, and the descriptions of frontier molecular orbitals and the relocation of the electron density of the compounds were determined. The crystal field splitting. Racah repulsion and nepheloauxetic parameters and determined from the electronic spectra of the complexes. The magnetic properties of the complexes were determined in the range 1.8-300 K. In the lowest temperature range a very weak antiferromagnetic interactions between M(II) centers in the crystal lattice were observed. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.04.017