[Co(isothiocyanato)2(CH3OH)2(N,N'-bis(2-pyridylformyl)piperazine)](n) | 780763-74-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Co(isothiocyanato)2(CH3OH)2(N,N'-bis(2-pyridylformyl)piperazine)](n)
• CAS: 780763-74-8
• 化学式: C₂₀H₂₄CoN₆O₄S₂
• 分子量: 535.574
• InChiKey: RZTBBEYUHHFWIS-UHFFFAOYSA-N

计算性质

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

反应信息

• 作为产物：
  描述：

  甲醇 、 cobalt(II) nitrate hexahydrate 、 potassium thioacyanate 、 1,4-二烟酰基哌嗪 以 甲醇 为溶剂， 以43%的产率得到[Co(isothiocyanato)2(CH3OH)2(N,N'-bis(2-pyridylformyl)piperazine)](n)
  参考文献：
  名称：

  Crystal structures and third-order NLO properties in DMF solution of Co(II)-bpfp coordination polymers (bpfp=N,N′-bis(pyridylformyl)piperazine)

  摘要：

  Two novel Co(II) coordination polymers {[Co(H2O)(2)(CH3OH)(2)(4-bpfp)](NO3)(2)}(n) 1 (4-bpfp = N,N'-bis(4-pyridylformyl)piperazine) and [Co(NCS)(2)(CH3OH)(2)(3-bpfp)](n) 2 (3-bpfp = N,N'-bis(3-pyridylformyl)piperazine) have been synthesized and characterized by single crystal X-ray diffraction. Both the polymers consist of one-dimensional chains constructed by bridging bpfp ligands and Co(II) ions. The existence of O...H-O hydrogen bond in 1 and S...H-O hydrogen bond in 2 play important roles in creating interesting supramolecular structures. Their third-order nonlinear optical (NLO) properties in DMF solution have been studied by Z-scan technique. The results reveal that polymers 1 and 2 exhibit strong NLO absorption effects (alpha(2) = 9.00 X 10(-11) m W-1 for 1; 1.41 x 10(-10) m W-1 for 2) and self-focusing performance (n(2) = 3.24 x 10(-16) esu for 1; 3.05 X 10(-16) esu for 2) in DMF solutions. The corresponding effective NLO susceptibilities chi((3)) values are 3.08 x 10(-12) esu (1) and 4.70 x 10(-12) esu (2). All of the values are comparable to those of the reported good NLO materials. Additionally, the TG-DTA results of the two polymers are in agreement with the crystal structures. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.05.007