[ReCl(CO)3(μ-2,4,6-tri(pyridine-2-yl)-2H-1,3,5-triazine-1-ide)Re(CO)3] | 1613271-68-3

• 英文名称: [ReCl(CO)3(μ-2,4,6-tri(pyridine-2-yl)-2H-1,3,5-triazine-1-ide)Re(CO)3]
• 英文别名: [ReCl(CO)₃(μ-2,4,6-tri(pyridine-2-yl)-2H-1,3,5-triazine-1-ide)Re(CO)₃]；[ReCl(CO)₃(μ-tptzH)Re(CO)₃]
• CAS: 1613271-68-3
• 化学式: C₂₄H₁₃ClN₆O₆Re₂
• 分子量: 889.271
• InChiKey: GRDPJBITQRCAHN-UHFFFAOYSA-M

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：

  氯仿 、 在 alumina column 作用下， 以 甲苯 为溶剂， 生成 [ReCl(CO)3(μ-2,4,6-tri(pyridine-2-yl)-2H-1,3,5-triazine-1-ide)Re(CO)3]
  参考文献：
  名称：

  Photocatalytic reduction of CO2 to CO by a dinuclear carbonyl polypyridyl rhenium(I) complex

  摘要：

  The new dinuclear Re(I) complex, [ReCl(CO)(3)(mu-tptzH)Re(CO)(3)], where tptzH(-) is 2,4,6-tri(pyridine-2-yl)-2H-1,3,5-triazine-1-ide has been synthesized and characterized by spectroscopic methods and X-ray crystallography. During the preparation of the dinuclear complex, a carbon atom of the triazine ring in the tptz bridging ligand is saturated by two consecutive redox reactions. It is worthy to mention that this partial saturation of tptz to tptzH(-) is the first example of the saturation of a triazine ring without a nucleophilic attack. The photocatalytic activity of the dinuclear complex for the photochemical reduction of CO2 to CO has been also investigated. The photocatalytic reduction of CO2 was carried out in three different conditions and the turnover number for the CO formation in the TEOA/DMF/NEt4Cl mixture reached a maximum of 15.8, which was 1.17 and 1.71 times the turnover numbers for the TEA/DMF and TEOA/DMF mixtures, respectively. The theoretical calculations show that the metal moiety containing the chloro ligand (ReCl(CO)(3)) is the most likely active site for the photocatalytic reduction of CO2. Finally, a photocatalytic cycle was proposed for the reduction of CO2 on the metal moiety containing the chloro ligand. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2014.04.037
• 作为试剂：
  描述：

  二氧化碳 在 三乙醇胺 、 [ReCl(CO)3(μ-2,4,6-tri(pyridine-2-yl)-2H-1,3,5-triazine-1-ide)Re(CO)3] 、 四乙基氯化铵 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 25.0~30.0 ℃ 、100.0 kPa 条件下， 反应 12.0h， 生成 一氧化碳
  参考文献：
  名称：

  Photocatalytic reduction of CO2 to CO by a dinuclear carbonyl polypyridyl rhenium(I) complex

  摘要：

  The new dinuclear Re(I) complex, [ReCl(CO)(3)(mu-tptzH)Re(CO)(3)], where tptzH(-) is 2,4,6-tri(pyridine-2-yl)-2H-1,3,5-triazine-1-ide has been synthesized and characterized by spectroscopic methods and X-ray crystallography. During the preparation of the dinuclear complex, a carbon atom of the triazine ring in the tptz bridging ligand is saturated by two consecutive redox reactions. It is worthy to mention that this partial saturation of tptz to tptzH(-) is the first example of the saturation of a triazine ring without a nucleophilic attack. The photocatalytic activity of the dinuclear complex for the photochemical reduction of CO2 to CO has been also investigated. The photocatalytic reduction of CO2 was carried out in three different conditions and the turnover number for the CO formation in the TEOA/DMF/NEt4Cl mixture reached a maximum of 15.8, which was 1.17 and 1.71 times the turnover numbers for the TEA/DMF and TEOA/DMF mixtures, respectively. The theoretical calculations show that the metal moiety containing the chloro ligand (ReCl(CO)(3)) is the most likely active site for the photocatalytic reduction of CO2. Finally, a photocatalytic cycle was proposed for the reduction of CO2 on the metal moiety containing the chloro ligand. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2014.04.037