tetrakis-μ-acetatobis(acetamido)dicopper(II) | 1311293-52-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tetrakis-μ-acetatobis(acetamido)dicopper(II)
• 英文别名: Dicopper;acetamide;tetraacetate
• CAS: 1311293-52-3
• 化学式: C₁₂H₂₂Cu₂N₂O₁₀
• 分子量: 481.406
• InChiKey: FOQPXSFHZQRGAK-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  -6.0
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  247
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  tetrakis-μ-acetatobis(acetamido)dicopper(II) 生成 copper(II) oxide
  参考文献：
  名称：

  A combined experimental and computational investigation on Tetrakis-μ-acetato-bis(acetamido)dicopper(II) and its application as a single source precursor for copper oxide

  摘要：

  The physico-chemical properties of the Tetrakis-mu-acetato-bis(acetamido)dicopper(II) [Cu(O2CCH3)(2)(CH3CONH2)](2) (1), have been thoroughly investigated via an integrated multi-technique experimental-computational approach. In the newly found orthorhombic compound, as revealed by low temperature single-crystal X-ray studies, the complex is present as centrosymmetrical dimeric unit, has a paddle-wheel conformation with four acetate ligands bridging two symmetry-related Cu-II ions. The distorted octahedral coordination environment around the Cu-II ion is completed by an oxygen atom from an acetamide ligand. The compound sublimates, without premature side decompositions, at 180 degrees C. The structural, electronic and thermal behavior of the neutral complex (1) has been investigated. The present study suggests application of [Cu(O2CCH3)(2)(CH3CONH2)](2) (1) as a precursor for copper-based materials by Chemical Vapor Deposition. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2011.03.031
• 作为产物：
  描述：

  乙酰胺 、 copper diacetate 以 甲醇 为溶剂， 生成 tetrakis-μ-acetatobis(acetamido)dicopper(II)
  参考文献：
  名称：

  A combined experimental and computational investigation on Tetrakis-μ-acetato-bis(acetamido)dicopper(II) and its application as a single source precursor for copper oxide

  摘要：

  The physico-chemical properties of the Tetrakis-mu-acetato-bis(acetamido)dicopper(II) [Cu(O2CCH3)(2)(CH3CONH2)](2) (1), have been thoroughly investigated via an integrated multi-technique experimental-computational approach. In the newly found orthorhombic compound, as revealed by low temperature single-crystal X-ray studies, the complex is present as centrosymmetrical dimeric unit, has a paddle-wheel conformation with four acetate ligands bridging two symmetry-related Cu-II ions. The distorted octahedral coordination environment around the Cu-II ion is completed by an oxygen atom from an acetamide ligand. The compound sublimates, without premature side decompositions, at 180 degrees C. The structural, electronic and thermal behavior of the neutral complex (1) has been investigated. The present study suggests application of [Cu(O2CCH3)(2)(CH3CONH2)](2) (1) as a precursor for copper-based materials by Chemical Vapor Deposition. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2011.03.031

文献信息

• Unusual Conformation of a Dinuclear Paddle Wheel Copper(II) Complex. Synthesis, Structural Characterization and EPR Studies
  作者：Verónica Paredes-García、Ricardo C. Santana、Rosa Madrid、Andrés Vega、Evgenia Spodine、Diego Venegas-Yazigi

  DOI：10.1021/ic3027804

  日期：2013.8.5

  An unusual and unique conformation of a paddle wheel type binuclear copper(II) complex containing acetate and acetamido ligands, Cu2(μ2-O2CCH3)4}(OCNH2CH3) (1), was obtained by solvothermal synthesis. The structural characterization of this compound shows that the apical (acetamido) ligands are disposed at a 62° dihedral angle, generating a special conformation as a consequence of the synthetic method

  桨轮型双核铜的一个不寻常的和独特的构象（II）络合物的含乙酸乙酯和乙酰氨基配体，的Cu 2（μ 2 -O 2 CCH 3）4 }（OCNH 2 CH 3）（1）中，由溶剂热得到合成。该化合物的结构表征表明，顶端（乙酰氨基）配体以62°二面角放置，由于使用了合成方法，因此生成了特殊的构象。在其他桨轮四乙酸铜（II）化合物中尚未报道该构象。（1的粉末样品的电子顺磁共振（EPR）光谱）是在9.5和33.8 GHz下获得的，而单晶光谱是在33.8 GHz下在三个正交平面上施加B 0的情况下获得的。允许的单晶的实验数据的拟合，得到克∥ = 2.345±0.003，和克⊥ = 2.057±0.005。EPR线的角度变化允许评估（1）的精细结构，得出D = −0.337±0.002 cm –1，E = −0.005±0.001 cm –1。线宽角度依赖性，与安德森模型和久保–托米塔理论一起使用，可以将二聚体相互作用评估为|