[dicopper(II)(MeCN)(μ-(2-(2'-hydroxyphenyl)-1,3-bis[4-(2-hydroxyphenyl)-3-azabut-3-enyl]-1,3-imidazolidine))][Cu(NCS)3(H2O)] | 1307751-89-8

• 英文名称: [dicopper(II)(MeCN)(μ-(2-(2'-hydroxyphenyl)-1,3-bis[4-(2-hydroxyphenyl)-3-azabut-3-enyl]-1,3-imidazolidine))][Cu(NCS)3(H2O)]
• CAS: 1307751-89-8
• 化学式: C₃H₂CuN₃OS₃*C₂₉H₃₀Cu₂N₅O₃
• 分子量: 879.493
• InChiKey: YULCFZVWKHROCJ-QKDOLHJYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  乙腈 、 水 、 硫氰酸铵 、 [(μ-aqua)(2-(2'-oxyphenyl)-1,3-bis[4-(2-oxyphenyl)-3-azabut-3-enyl]-1,3-imidazolidine)dicopper(II)] perchlorate dihydrate 以 甲醇 、 乙腈 为溶剂， 以29%的产率得到[dicopper(II)(MeCN)(μ-(2-(2'-hydroxyphenyl)-1,3-bis[4-(2-hydroxyphenyl)-3-azabut-3-enyl]-1,3-imidazolidine))][Cu(NCS)3(H2O)]
  参考文献：
  名称：

  Aqua bridge cleavage and metal ion extrusion by thiocyanate anions in a dicopper complex

  摘要：

  Reaction of the imidazolidinyl phenolate-based ligand, H3L [(2-(2'-hydroxyphenyl)-1,3-bis[4-(2-hydroxyphenyl)-3-azabut-3-enyl]-1,3-imidazolidine)] with Cu(ClO4)(2)center dot 6H(2)O produces an aqua-bridged cationic reactant complex [Cu-2(mu-H2O)(mu-L)][ClO4]center dot 1.5H(2)O (1 center dot 1.5H(2)O). Solution phase interaction of 1 center dot 1.5H(2)O with SCN anions in 1:1 molar ratio leads to [Cu-2(mu-L)(NCS)]center dot 2H(2)O (2 center dot 2H(2)O) that does not possess anymore the reactive aqua bridge but instead a terminal SCN anion coordinated only to one Cu-II ion. Whereas in 1:2 molar ratio, partial extrusion of the Cu-II ions takes place to generate in situ [Cu(NCS)(3)(OH2)] anions. These complex anions then quantitatively replace ClO4- anions in 1 center dot 1.5H(2)O via 'anion metathesis' and concurrently remove the aqua bridge by coordination of linear MeCN to one of the Cu-II ions to give [Cu-2(mu-L)(CH3CN)][Cu(NCS)(3)(OH2)] (3). The literature unknown [Cu(NCS)(3)(OH2)] anion forms an intimate H-bonded assembly with the cationic part of 3 to yield a novel [Cu-3] isosceles triangle. The precursor complex is known as antiferromagnetic whereas in 2 center dot 2H(2)O, the Cu-II (S = 1/2) ions in a dinuclear entity exhibit ferromagnetic interactions (J/k(B) = +15.0 K and g = 2.22) to yield an S-T = 1 spin ground state in good agreement with the M versus H data below 8 K. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.01.026