[Pt(methyl isonicotinate)2(1,3-dithiol-2-thione-4,5-dithiolate)] | 1239974-22-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: [Pt(methyl isonicotinate)2(1,3-dithiol-2-thione-4,5-dithiolate)]
• 英文别名: [Pt(4-CO2CH3-py)2(dmit)]
• CAS: 1239974-22-1
• 化学式: C₁₇H₁₄N₂O₄PtS₅
• 分子量: 665.719
• InChiKey: OAQNZLUBJOWWOG-UHFFFAOYSA-L

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：

  4,5-双(苯甲酰硫基)-1,3-二硫杂环戊烯-2-硫酮 、 PtCl2(4-CO2CH3py)2 、 sodium 以 甲醇 、 二氯甲烷 为溶剂， 生成 [Pt(methyl isonicotinate)2(1,3-dithiol-2-thione-4,5-dithiolate)]
  参考文献：
  名称：

  Synthesis and properties of [Pt(4-CO2CH3-py)2(dmit)] and [Pt(4-NO2-py)2(mnt)]: Exploring tunable Pt dyes

  摘要：

  Two [Pt(II)(substituted-pyridyl)(2)(dithiolate)] dyes with the formulas [Pt(4-CO2CH3-py)(2)(dmit)] and [Pt(4-NO2-py)(2)(mnt)] (where py = pyridyl, dmit = 1,3-dithiol-2-thione-4,5-dithiolate and mnt = maleonitriledithiolate) and their dichloride precursors [PtCl2(4-R-py)(2)] have been synthesized and compared to a previously-reported dye [Pt(4-CO2CH3-py)(2)(mnt)]. Variation of either the pyridyl ligands or the ditholate ligand showed tuning of the electrochemical and spectroscopic characteristics of the dyes as evidenced by cyclic and differential pulse voltammetry, hybrid DFT calculations, UV/Vis spectroelectrochemistry and in situ EPR spectroelectrochemistry. The HOMO was shown to be mostly dithiolate based and the LUMO pyridyl based allowing absorption characteristics to be predictably tuned to longer wavelengths, which is important for optimization of such dyes in applications such as solar energy conversion. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.09.017