[Fe(2,4,6-tris(2-pyridyl)-1,3,5-triazine)(NO3)(MeOH)2](NO3) | 1198213-68-1

• 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: [Fe(2,4,6-tris(2-pyridyl)-1,3,5-triazine)(NO3)(MeOH)2](NO3)
• 英文别名: [Fe(tptz)(NO3)(MeOH)2](NO3)
• CAS: 1198213-68-1
• 化学式: C₂₀H₂₀FeN₇O₅*NO₃
• 分子量: 556.275
• InChiKey: NEQAYURTIYHSOX-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：

  甲醇 、 Iron(III) nitrate nonahydrate 、 2,4,6-三(2-吡啶基)三嗪 、 水 在 benzilic acid 作用下， 以 甲醇 为溶剂， 以19%的产率得到[Fe(2,4,6-tris(2-pyridyl)-1,3,5-triazine)(NO3)(MeOH)2](NO3)
  参考文献：
  名称：

  Aerobic Fe ^III –Fe ^II Reduction in the Presence of 2,4,6‐Tri(2‐pyridyl)‐1,3,5‐triazine and Benzilic Acid: Synthesis and Characterization of a Heptacoordinate Fe ^II –Nitrato Complex

  摘要：

  AbstractThe simultaneous presence of benzilic acid [Ph2C(OH)CO2H] and tptz [2,4,6‐tri(2‐pyridyl)‐1,3,5‐triazine] in FeIII‐containing reaction mixtures leads to partial and/or quantitative metal reduction. In the presence of the oxidative NO3– ions in the reaction mixture, partial reduction of the metal leads to the isolation of a heptacoordinate FeII–nitrato complex, [FeII(tptz)(NO3)(MeOH)2](NO3) (1), along with a FeIII complex (2). In the presence of perchlorate ions in the reaction mixture, the quantitative reduction of FeIII leads to the isolation of a hexacoordinate FeII complex, [FeII(tptzH)2](ClO4)4 (3). Complexes 1 and 3 have been structurally characterized and possess a pentagonal‐bipyramidal and a distorted octahedral coordination geometry, respectively. In both complexes, tptz behaves as a tridentate ligand, adopting the terpy‐like coordination mode, and is coordinated through the triazine nitrogen atom and the two adjacent pyridine nitrogen atoms. One asymmetrically coordinated chelate, NO3–, and two MeOH molecules complete the pentagonal‐bipyramidal geometry around FeII in 1. On the basis of analytical, spectroscopic (IR, Mössbauer) and magnetic susceptibility data from polycrystalline samples of 2, an oxido‐bridged diferric structure is proposed [ΔEQ(78 K) = 1.79 mm s–1, JFe–Fe = –117 cm–1]. The Mössbauer spectra of the polycrystalline samples of 1 and 3 are consistent with high‐spin and low‐spin FeII, respectively, in anN/O coordination environment. Variable‐temperature and variable‐field magnetic measurements of 1 suggest significant zero‐field splitting of the ferrous ions (D = 5.5 cm–1).(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)

  DOI：

  10.1002/ejic.200800560