{Mn3O(O2CPh)6(pyridine)2(H2O)}*0.5CH3CN | 109862-72-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: {Mn3O(O2CPh)6(pyridine)2(H2O)}*0.5CH3CN
• 英文别名: [Mn3O(O2CPh)6(pyridine)2(H2O)]*0.5(acetonitrile)
• CAS: 109862-72-8
• 化学式: 0C₂H₃N*C₅₂H₄₂Mn₃N₂O₁₄
• 分子量: 1104.25
• InChiKey: NPSRMZXBABHDKY-UHFFFAOYSA-H

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：

  {Mn3O(O2CPh)6(pyridine)2(H2O)}*0.5CH3CN 在 2,2'-bipyridyl-3,3'-dicarboxylic acid 、 triethylamine 作用下， 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and crystal structure of a novel oxo-centred trinuclear manganese complex [Mn3O(C6H5COO)6(py)3] · 2CH3CN

  摘要：

  The title complex, [Mn3O(C6H5COO)(6)(py)(3)]. 2CH(3)CN (py = pyridine), has been prepared. Single-crystal X-ray analysis revealed a mu(3)-oxo-bridged (Mn2MnII)-Mn-III structure, in which each manganese atom has a distorted octahedral environment. The Mn(1) atom is readily assigned as a Mn-III centre from the Mn-(mu(3)-O) distance [1.819(5) Angstrom]. The remaining Mn(2) and Mn(3) atoms are essentially equivalent in crystallography, indicating an electronic delocalization between Mn-II and Mn-III atoms. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0277-5387(96)00464-0
• 作为产物：
  描述：

  四丁基高锰酸胺盐 、 Manganese(2+);diacetate;hydrate 、 苯甲酸 在 pyridine 作用下， 以 乙醇 、 溶剂黄146 为溶剂， 以60%的产率得到{Mn3O(O2CPh)6(pyridine)2(H2O)}*0.5CH3CN
  参考文献：
  名称：

  Preparation and physical properties of trinuclear oxo-centered manganese complexes of general formulation [Mn3O(O2CR)6L3]0,+ (R = methyl or phenyl; L = a neutral donor group) and the crystal structures of [Mn3O(O2CMe)6(pyr)3](pyr) and [Mn3O(O2CPh)6(pyr)2(H2O)].cntdot.0.5MeCN

  摘要：

  DOI：

  10.1021/ja00253a023

文献信息

• Nonanuclear oxide-bridged manganese complex. Preparation, structure, and magnetic properties of [Mn9O4(O2CPh)8(sal)4(salH)2(pyr)4] (salH2 = salicylic acid; pyr = pyridine)
  作者：Cheryl. Christmas、John B. Vincent、Hsiu Rong. Chang、John C. Huffman、George. Christou、David N. Hendrickson

  DOI：10.1021/ja00211a022

  日期：1988.2.3
• Self-Assembly of a Mn₉ Nanoscopic Mixed-Valent Cluster:  Synthesis, Crystal Structure, and Magnetic Behavior
  作者：Kartik Chandra Mondal、You Song、Partha Sarathi Mukherjee

  DOI：10.1021/ic701018x

  日期：2007.11.1

  A rare Mn-9 mu(3)-oxo-centered mixed-valent cluster [Mn9O7(O2CPh)(11)(thmn)(py)(2) (H2O)(3)] (1) is prepared by assembling an oxo-centered (MnMn2III)-Mn-II triangle, [Mn3O(O2CPh)(6)(py)(2)(H2O)]center dot 0.5MeCN, as the secondary building unit in the presence of a tripodal alcohol, 1,1,1-tris(hydroxymethyl) nitromethane (H(3)thmn), as the capping ligand. Complex 1 was formed along with a minor byproduct, [Mn6O2(O2CPh)(10)(MeCN)(4)] (2). Complex 1 was characterized by X-ray single-crystal structure analysis and was crystallized in a monoclinic system, space group P2(1)/n, a = 16.214(6) angstrom, b = 25-874(10) angstrom, c = 26.497(10) angstrom, and beta = 94.214(7)degrees. The Manganese-oxo-carboxyl ate core in 1 looks like a funnel. Variable-temperature magnetic studies down to 2 K reveal the existence of dominant ferromagnetic interaction within the cluster. Alternating current susceptibility data of the cluster show strong frequency dependence of both the real and imaginary. parts of susceptibility chi ' and chi '' below 5 K. Moreover, the calculated relaxation time, tau(0) = 1.2 x 10(-7) s, and the energy barrier, Delta E = 25 K, are consistent with the single-molecule magnetic behavior of 1.