[Zn(tris(2-pyridylmethyl)amine)(NCS)2] | 960504-32-9

• 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: [Zn(tris(2-pyridylmethyl)amine)(NCS)2]
• CAS: 960504-32-9
• 化学式: C₂₀H₁₈N₆S₂Zn
• 分子量: 471.925
• InChiKey: AJEFBNRJBGTRBR-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：

  zinc(II) nitrate hexahydrate 、 potassium thioacyanate 、 三(2-吡啶基甲基)胺 以 甲醇 为溶剂， 以54%的产率得到[Zn(tris(2-pyridylmethyl)amine)(NCS)2]
  参考文献：
  名称：

  High-field EPR investigation of a series of mononuclear Mn(II) complexes doped into Zn(II) hosts

  摘要：

  The five-coordinate mono-halide mononuclear Zn(II) complexes [Zn(tpa)X](+) (tpa = tris(2-pyridylmethyl)amine; X = I ([Zn(tpa)I]I; 1a), Br ([Zn(tpa)Br](ZnBr4)(0.5); 2a) and Cl ([Zn(tpa)Cl](ZnCl4)(0.5); 3a)) and the six-coordinate mononuclear complex [Zn(tpa)(NCS)(2)] (4a) have been synthesized and characterized by X-ray crystallography. The [Zn(tpa)X]+ complexes doped with the corresponding [Mn(tpa)X-2] complexes (X = I (1b), Br (2b) and Cl (3b)) have been synthesized and their electronic properties investigated by multifrequency high field EPR (HF-EPR) (95-285 GHz). The magnetically diluted conditions allow the determination of the hyperfine coupling constant A(vertical bar A vertical bar = 68.10(-4) cm(-1) for 1b-3b). The zero-field splitting parameters (D and E) found for 1b-3b are comparable to those found for neat samples of the [Mn(tpa)X-2] complexes (1b: vertical bar D vertical bar = 0.635 cm(-1), vertical bar E/D vertical bar = 0.189; 2b: vertical bar D vertical bar = 0.360 cm(-1), vertical bar E/D vertical bar = 0.192; 3b: vertical bar D vertical bar = 0. 115 cm(-1), vertical bar E/D vertical bar = 0.200). The efficacy of using multifrequency EPR under dilute conditions to precisely determine spin Hamiltonian parameters is discussed. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.07.030