tetra[(μ-3,5-di-tert-butylpyrazolate)copper(I)]-dichloromethane (1/1) | 594874-01-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: tetra[(μ-3,5-di-tert-butylpyrazolate)copper(I)]-dichloromethane (1/1)
• CAS: 594874-01-8
• 化学式: CH₂Cl₂*C₄₄H₇₆Cu₄N₈
• 分子量: 1056.26
• InChiKey: GXLLEBOZZAQPRC-UHFFFAOYSA-N

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：

  二氯甲烷 、 copper(l) chloride 、 sodium 3,5-di-tert-butylpyrazolate 以 丙酮 为溶剂， 以42%的产率得到tetra[(μ-3,5-di-tert-butylpyrazolate)copper(I)]-dichloromethane (1/1)
  参考文献：
  名称：

  Pyrazolate-bridged group 11 metal(I) complexes: Substituent effects on the supramolecular structures and physicochemical properties

  摘要：

  Polynuclear homoleptic pyrazolate-bridged group 11 metal(I) complexes with three different alkyl substituted pyrazolate anions, 3,5-diisopropylpyrazolate (3,5-iPr(2)pz = L1 ), 3-tert-butyl-5-isopropylpyrazolate (3-tBu-5-iPrpz = L3 ), and 3,5-di-tert-butylpyrazolate (3,5-tBu(2)pz = L4 ), i. e. [Cu(mu-3,5-iPr(2)pz)](3) (CuL1), [Ag(mu-3,5-iPr(2)pz)](3) (AgL1), [Au(mu-3,5-iPr(2)pz)](3) (AuL1), [Cu(mu-3-tBu-5-iPrpz)](4) (CuL3), [Ag(mu-3-tBu-5-iPrpz)](3) (AgL3), [Au(mu-3-tBu-5-iPrpz)](4) (AuL3), [Cu(mu-3,5-tBu(2)pz)](4) (CuL4), [Ag(mu-3,5-tBu(2)pz)](4) (AgL4), and [Cu(mu-3,5-tBu(2)pz)](4) (AuL4), were systematically synthesized in order to investigate the influence of pyrazole bulkiness on their structures and physicochemical properties. The structural characterization indicates that the geometries are greatly influenced by the steric hindrance exerted by the substituent groups of the pyrazolyl rings and the differences of the central metal (I) ionic radius (Cu+ < Au+ < Ag+). These complexes were also characterized by spectroscopic techniques, namely, UV-Vis, IR/far-IR, Raman, and luminescence spectroscopy. (C) 2010 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.05.014