[tris(3,5-diisopropylpyrazolato)tricopper(I)] | 666854-63-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [tris(3,5-diisopropylpyrazolato)tricopper(I)]
• 英文别名: tri[(μ-3,5-di-isopropylpyrazolate)copper(I)]；[copper(I) (μ-3,5-diisopropyl-1-pyrazole(1-))]3；Copper(1+) 3,5-di(propan-2-yl)pyrazol-1-ide (1/1)；copper(1+);3,5-di(propan-2-yl)pyrazol-2-ide
• CAS: 666854-63-3
• 化学式: C₂₇H₄₅Cu₃N₆
• 分子量: 644.332
• InChiKey: QWYHUKWZHSRHDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.85
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  41.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  tetrakis(acetonitrile)copper(I)tetrafluoroborate 、 3,5-二异丙基吡唑 在 triethylamine 作用下， 以 丙酮 为溶剂， 以88%的产率得到[tris(3,5-diisopropylpyrazolato)tricopper(I)]
  参考文献：
  名称：

  吡唑酸盐的明亮磷光三核铜(I)配合物：取代基对超分子结构和光物理的影响

  摘要：

  描述了一组含有吡唑配体的三聚铜 (I) 配合物的合成细节、固态结构和光物理特性。氧化铜 (I) 与氟化吡唑 [3-(CF(3))Pz]H、[3-(CF(3)),5-(Me)Pz]H 和 [3-(CF (3)),5-(Ph)Pz]H 生成相应的三核铜 (I) 吡唑酸盐，{[3-(CF(3))Pz]Cu}(3)，{[3-(CF(3) )),5-(Me)Pz]Cu}(3) 和 {[3-(CF(3)),5-(Ph)Pz]Cu}(3) 分别以高产率获得。{[3,5-(i-Pr)(2)Pz]Cu}(3) 化合物是通过 [Cu(CH(3)CN)(4)][BF(4)], [ 3,5-(i-Pr)(2)Pz]H 和 NEt(3)。这些化合物以及 {[3,5-(Me)(2)Pz]Cu}(3) 和 {[3,5-(CF(3))(2)Pz]Cu}(3) 采用三聚体结构与九元 Cu(3)N(6) 金属环。存在不同程度和类型的三聚体间

  DOI：

  10.1021/ja0427146

文献信息

• Crystal Structure of Pyrazolato-bridged Copper(I) Polynuclear Complexes
  作者：Kiyoshi Fujisawa、Yoko Ishikawa、Yoshitaro Miyashita、Ken-ichi Okamoto

  DOI：10.1246/cl.2004.66

  日期：2004.1

  We prepared a series of copper(I) polynuclear complexes bridged by three different alkyl substituted pyrazolate anions. From X-ray analysis, these differences reflected their molecular structures. These structural changesalso reflected some properties in their IR, far-IR, UV-vis, and NMR spectra.

  我们制备了一系列由三种不同的烷基取代的吡唑酸阴离子桥接的铜 (I) 多核配合物。从 X 射线分析来看，这些差异反映了它们的分子结构。这些结构变化也反映了它们的红外、远红外、紫外可见和核磁共振光谱的一些特性。
• Pyrazolate-bridged group 11 metal(I) complexes: Substituent effects on the supramolecular structures and physicochemical properties
  作者：Kiyoshi Fujisawa、Yoko Ishikawa、Yoshitaro Miyashita、Ken-ichi Okamoto

  DOI：10.1016/j.ica.2010.05.014

  日期：2010.10

  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.
• Brightly Phosphorescent Trinuclear Copper(I) Complexes of Pyrazolates:  Substituent Effects on the Supramolecular Structure and Photophysics
  作者：H. V. Rasika Dias、Himashinie V. K. Diyabalanage、Maha G. Eldabaja、Oussama Elbjeirami、Manal A. Rawashdeh-Omary、Mohammad A. Omary

  DOI：10.1021/ja0427146

  日期：2005.5.25

  trimeric copper(I) complexes containing pyrazolate ligands are described. The reaction of copper(I) oxide and the fluorinated pyrazoles [3-(CF(3))Pz]H, [3-(CF(3)),5-(Me)Pz]H, and [3-(CF(3)),5-(Ph)Pz]H leads to the corresponding trinuclear copper(I) pyrazolates, [3-(CF(3))Pz]Cu}(3), [3-(CF(3)),5-(Me)Pz]Cu}(3), and [3-(CF(3)),5-(Ph)Pz]Cu}(3), respectively, in high yield. The [3,5-(i-Pr)(2)Pz]Cu}(3) compound

  描述了一组含有吡唑配体的三聚铜 (I) 配合物的合成细节、固态结构和光物理特性。氧化铜 (I) 与氟化吡唑 [3-(CF(3))Pz]H、[3-(CF(3)),5-(Me)Pz]H 和 [3-(CF (3)),5-(Ph)Pz]H 生成相应的三核铜 (I) 吡唑酸盐，[3-(CF(3))Pz]Cu}(3)，[3-(CF(3) )),5-(Me)Pz]Cu}(3) 和 [3-(CF(3)),5-(Ph)Pz]Cu}(3) 分别以高产率获得。[3,5-(i-Pr)(2)Pz]Cu}(3) 化合物是通过 [Cu(CH(3)CN)(4)][BF(4)], [ 3,5-(i-Pr)(2)Pz]H 和 NEt(3)。这些化合物以及 [3,5-(Me)(2)Pz]Cu}(3) 和 [3,5-(CF(3))(2)Pz]Cu}(3) 采用三聚体结构与九元 Cu(3)N(6) 金属环。存在不同程度和类型的三聚体间