[Mn2(6,20-bis(2-methoxybenzyl)-3,6,9,17,20,23,29,30-octaazatricyclo[23.3.1.111.15]triaconta-1(29),11,13,15(30),25,27-hexaene)Cl4]*(methanol) | 1042664-43-6

• 英文名称: [Mn2(6,20-bis(2-methoxybenzyl)-3,6,9,17,20,23,29,30-octaazatricyclo[23.3.1.111.15]triaconta-1(29),11,13,15(30),25,27-hexaene)Cl4]*(methanol)
• CAS: 1042664-43-6
• 化学式: CH₄O*C₃₈H₅₂Cl₄Mn₂N₈O₂
• 分子量: 936.613
• InChiKey: UYQYDHGLIBBLCP-UHFFFAOYSA-J

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

• 作为反应物：
  描述：

  [Mn2(6,20-bis(2-methoxybenzyl)-3,6,9,17,20,23,29,30-octaazatricyclo[23.3.1.111.15]triaconta-1(29),11,13,15(30),25,27-hexaene)Cl4]*(methanol) 以 N,N-二甲基甲酰胺 为溶剂， 生成 [Mn(6,20-bis(2-methoxybenzyl)-3,6,9,17,20,23,29,30-octaazatricyclo[23.3.1.111.15]triaconta-1(29),11,13,15(30),25,27-hexaene)](2+)
  参考文献：
  名称：

  Synthesis and characterization of mononuclear and dinuclear Mn complexes with N,N′-disubstituted octaaza macrocycle

  摘要：

  A new 24-membered octaaza macrocyclic ligand (L) containing two methoxybenzyl pendant arms has been synthesized. While its complexation with MnCl(2) in the presence of perchlorate anion yielded a mononuclear complex, [MnL](ClO(4))(2), a similar reaction in the absence of perchlorate anion led to an endocyclic dinuclear complex, [Mn(2)LCl(4)]. In [MnL](ClO(4))(2), the Mn(II) ion was tightly surrounded by the N8-macrocyclic ligand to form a distorted bicapped octahedral geometry. In [Mn(2)LCl(4)], the endomacrocyclic bound two manganese ions are bridged via two chloro ligands to form a bis-(mu-chloro) Mn(2)Cl(2) diamond core. Each Mn(II) ion in the dinuclear complex is additionally ligated with a diaminomethyl pyridinyl nitrogen donor atom of the ligand and a terminal chloride, which leads to a distorted octahedral geometry of the N(3)Cl(3) donor set. An EPR study of [MnL](ClO(4))(2) in DMSO or DMF showed an unprecedented Mn(II) EPR signal spreading from similar to 100 G over similar to 7000 G with (55)Mn nuclear hyperfine structures at 600-1800 G. For [Mn(2)LCl(4)], a typical high-spin Mn(II) signal was observed near g = similar to 2 with an average (55)Mn nuclear hyperfine coupling constant of 91 G and small ZFS. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.03.021
• 作为产物：
  描述：

  甲醇 、 6,20-bis(2-methoxybenzyl)-3,6,9,17,20,23,29,30-octaazatricyclo[23.3.1.111.15]triaconta-1(29),11,13,15(30),25,27-hexaene 、 manganese(ll) chloride 以 甲醇 为溶剂， 以92%的产率得到[Mn2(6,20-bis(2-methoxybenzyl)-3,6,9,17,20,23,29,30-octaazatricyclo[23.3.1.111.15]triaconta-1(29),11,13,15(30),25,27-hexaene)Cl4]*(methanol)
  参考文献：
  名称：

  Synthesis and characterization of mononuclear and dinuclear Mn complexes with N,N′-disubstituted octaaza macrocycle

  摘要：

  A new 24-membered octaaza macrocyclic ligand (L) containing two methoxybenzyl pendant arms has been synthesized. While its complexation with MnCl(2) in the presence of perchlorate anion yielded a mononuclear complex, [MnL](ClO(4))(2), a similar reaction in the absence of perchlorate anion led to an endocyclic dinuclear complex, [Mn(2)LCl(4)]. In [MnL](ClO(4))(2), the Mn(II) ion was tightly surrounded by the N8-macrocyclic ligand to form a distorted bicapped octahedral geometry. In [Mn(2)LCl(4)], the endomacrocyclic bound two manganese ions are bridged via two chloro ligands to form a bis-(mu-chloro) Mn(2)Cl(2) diamond core. Each Mn(II) ion in the dinuclear complex is additionally ligated with a diaminomethyl pyridinyl nitrogen donor atom of the ligand and a terminal chloride, which leads to a distorted octahedral geometry of the N(3)Cl(3) donor set. An EPR study of [MnL](ClO(4))(2) in DMSO or DMF showed an unprecedented Mn(II) EPR signal spreading from similar to 100 G over similar to 7000 G with (55)Mn nuclear hyperfine structures at 600-1800 G. For [Mn(2)LCl(4)], a typical high-spin Mn(II) signal was observed near g = similar to 2 with an average (55)Mn nuclear hyperfine coupling constant of 91 G and small ZFS. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.03.021