4'',4'''-di-tert-butyl-2',2'',2'''-trimethoxy(4-(4'-diphenylaminophenyl)pyridine) | 1007837-79-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4'',4'''-di-tert-butyl-2',2'',2'''-trimethoxy(4-(4'-diphenylaminophenyl)pyridine)
• 英文别名: N,N-bis(4-tert-butyl-2-methoxyphenyl)-2-methoxy-4-pyridin-4-ylaniline
• CAS: 1007837-79-7
• 化学式: C₃₄H₄₀N₂O₃
• 分子量: 524.703
• InChiKey: BPVNFUVIYHDNSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  39
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  43.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  manganese(II) hexafluoroacetonylacetonate 、 4'',4'''-di-tert-butyl-2',2'',2'''-trimethoxy(4-(4'-diphenylaminophenyl)pyridine) 以 乙醚 、 正庚烷 、 二氯甲烷 为溶剂， 生成 (4'',4'''-di-tert-butyl-2',2'',2'''-trimethoxy(4-(4'-diphenylaminophenyl)pyridine))2Mn(hfac)2
  参考文献：
  名称：

  Antiferromagnetic spin-coupling between MnII and amminium radical cation ligands: Models for coordination polymer magnets

  摘要：

  One- and two-electron oxidation of the manganese(II) complex [L2Mn(hfac)(2)] (L = 4 '',4'''-di-tert-butyl-2,2 '',2'''trimethoxy-{4-(4'-diphenylaminophenyl)pyridine}) were studied by ultra violet/visible/near infra red spectroscopy, cyclic voltammetry and magnetometry. A one-electron oxidation converts the triarylamine ligand to its radical cation and gives a complex in which the antiferromagnetic coupling between the spin on the ligand and that on the metal J/k(b) is -1.5 K. In a dilute frozen matrix and at low temperature this behaves as an S = 2 system. A two-electron oxidation gives [L2Mn(hfac)(2)](2.+) which at low enough temperatures behaves as an S = 3/2 system but the spin-coupling between the metal and the ligand is weaker (J/k(b) = -0.3 K). The weakness of these spin-couplings mean that Mn-II/amminium radical cation complexes are not promising systems on which to base coordination polymer magnets. The equivalent copper(II) complex [L2Cu(hfaC)(2)] was also investigated but this decomposes when an attempt is made to oxidise the ligand to its amminium radical cation. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.09.020

文献信息

• Antiferromagnetic spin-coupling between MnII and amminium radical cation ligands: Models for coordination polymer magnets
  作者：Richard J. Bushby、Colin Kilner、Norman Taylor、Rhidian A. Williams

  DOI：10.1016/j.poly.2007.09.020

  日期：2008.1

  One- and two-electron oxidation of the manganese(II) complex [L2Mn(hfac)(2)] (L = 4 '',4'''-di-tert-butyl-2,2 '',2'''trimethoxy-4-(4'-diphenylaminophenyl)pyridine}) were studied by ultra violet/visible/near infra red spectroscopy, cyclic voltammetry and magnetometry. A one-electron oxidation converts the triarylamine ligand to its radical cation and gives a complex in which the antiferromagnetic coupling between the spin on the ligand and that on the metal J/k(b) is -1.5 K. In a dilute frozen matrix and at low temperature this behaves as an S = 2 system. A two-electron oxidation gives [L2Mn(hfac)(2)](2.+) which at low enough temperatures behaves as an S = 3/2 system but the spin-coupling between the metal and the ligand is weaker (J/k(b) = -0.3 K). The weakness of these spin-couplings mean that Mn-II/amminium radical cation complexes are not promising systems on which to base coordination polymer magnets. The equivalent copper(II) complex [L2Cu(hfaC)(2)] was also investigated but this decomposes when an attempt is made to oxidise the ligand to its amminium radical cation. (C) 2007 Elsevier Ltd. All rights reserved.