Co(2-(4,5-diphenyl-1H-imidazol-2-yl)-4-nitrophenol(-1H))2 | 1410788-67-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: Co(2-(4,5-diphenyl-1H-imidazol-2-yl)-4-nitrophenol(-1H))2
• CAS: 1410788-67-8
• 化学式: C₄₂H₂₈CoN₆O₆
• 分子量: 771.714
• InChiKey: PLMXMZCBGTVNGW-UHFFFAOYSA-L

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：

  cobalt(II) diacetate tetrahydrate 、 2-(4,5-diphenyl-1H-imidazol-2-yl)-4-nitrophenol 以 乙醇 为溶剂， 反应 0.5h， 以96%的产率得到Co(2-(4,5-diphenyl-1H-imidazol-2-yl)-4-nitrophenol(-1H))2
  参考文献：
  名称：

  Slow magnetic relaxation in mononuclear tetrahedral cobalt(II) complexes with 2-(1H-imidazol-2-yl)phenol based ligands

  摘要：

  摘要 基于2-(4,5-二苯基-1H-咪唑-2-基)苯酚配体及其硝基和甲氧基衍生物的三种单核钴(II)配合物已经合成并进行了研究。其中两种配合物来自母体配体及其硝基衍生物，其分子结构已通过X射线晶体学测定。对于具有两个双齿N,O配体的钴(II)中心，观察到扭曲的四面体配位环境。通过磁化率和磁化强度测量研究了磁性，结果表明，三种配合物中存在高自旋钴(II)离子，零场分裂相当大，约为D=–35至–41 cm–1。交流磁化率数据表明，在外加直流电场下，存在缓慢的磁弛豫，这是单分子磁体（SMM）行为的特点。 补充材料：

  DOI：

  10.1016/j.crci.2012.07.005

文献信息

• Synthesis, characterization and theoretical investigation of the structure, electronic properties and third-order optical nonlinearity of M(dnpi)2 (M = Cu2+, Co2+ and Pb2+; dnpi = 4,5-Diphenyl-2-(4-nitrophenyl)-1H-imidazole)
  作者：ShanShan Kou、Guodong Tang、Tingting Tang、Yu Zhang、Yinglin Song

  DOI：10.1016/j.dyepig.2013.12.026

  日期：2014.5

  Three complexes of M(dnpi)(2) (M = Cu2+, Co2+ and Pb2+; dnpi = 4,5-Diphenyl-2-(4-nitrophenyl)-1H-imidazole) were synthesized and characterized by elemental analysis, IR, UV-Vis, X-ray diffraction and the Z-scan technique. The X-ray diffraction results revealed crystal structures with a rare tetrahedral Co(dnpi)(2) and distorted pyramidal Pb(dnpi)(2). The equilibrium geometries and molecular orbitals of the complexes are calculated based on B3LYP using LANL2DZ basis sets. Their nonlinear optical properties were measured by the Z-scan technique, and yielded a nonlinear absorption coefficient, gamma, of 2.1 x 10(-12) m/W for Co(dnpi)(2) and 4.7 x 10(-11) m/W for Pb(dnpi)(2). In the range of the visible spectrum, the maximum absorption wavelengths are at 410.0 nm (epsilon = 4.42 x 10(4) L mol(-1) cm(-1)), 399.8 nm (epsilon = 3.61 x 10(4) L mol(-1) cm(-1)) and 441.7 nm (epsilon = 2.51 x 10(3) L mol(-1) cm(-1)) for Cu(dnpi)(2), Co(dnpi)(2) and Pb(dnpi)(2), respectively. (C) 2013 Elsevier Ltd. All rights reserved.