[Cu(triflate)2(2-methylpyrazine)2(H2O)2] | 1060705-62-5

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: [Cu(triflate)2(2-methylpyrazine)2(H2O)2]
• CAS: 1060705-62-5
• 化学式: C₁₂H₁₆CuF₆N₄O₈S₂
• 分子量: 585.949
• InChiKey: LFBZYUIRUFWHPP-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：

  2-甲基吡嗪 、 copper(II) bis(trifluoromethanesulfonate) 以 乙腈 为溶剂， 以72%的产率得到[Cu(triflate)2(2-methylpyrazine)2(H2O)2]
  参考文献：
  名称：

  Mono- and polynuclear Cu(II) coordination compounds that contain diazine ligands

  摘要：

  Cu(OTf)(2)(2-mepyz)(2)(H(2)O)(2) (2-mepyz=2-methylpyrazine; OTf(-) = CF(3)SO(3)(-) = triflate), 1, and Cu(OTf)(2)-(H(2)O)(2)(pyz) (pyz = pyrazine), 2, consist of monomeric and polymeric structures, respectively. Both compounds contain octahedral Cu(II) metal centers surrounded by trans-coordinated OTf(-), H(2)O, and diazines, either 2-mepyz in the case of 1 or pyz in 2. In 1, O-H center dot center dot center dot O(triflate) hydrogen bonds link CuO(4)N(2) monomers into quasi-1D chains which are joined via O-H center dot center dot center dot N interactions to afford a three-dimensional (3D) network. Pyz ligands in 2 link CuO(4)N(2) octahedra into linear chains similar to Cu(NO(3))(2)(pyz). Magnetically, neither 1 or 2 show indications for long-range magnetic ordering (LRO) above 2 K. Least-squares fits of the magnetic susceptibility data, chi(T), to a Bonner-Fisher uniform chain model gave 2J/k(B) = -0.005(1) and -6.0(1) K for compounds 1 and 2, respectively, indicative of negligible and moderate antiferromagnetic coupling between spin-1/2 Cu(II) ions. Inter-chain magnetic interactions seem to be negligible for both systems. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.05.007