[tris(perfluoro-o-phenylene mercury)-(2-(phenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide)-tris(perfluoro-o-phenylene mercury)] | 865370-36-1

• 英文名称: [tris(perfluoro-o-phenylene mercury)-(2-(phenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide)-tris(perfluoro-o-phenylene mercury)]
• CAS: 865370-36-1
• 化学式: C₄₉H₁₇F₂₄Hg₆N₂O₂
• 分子量: 2325.19
• InChiKey: OEZJYMTVHRVWHD-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：

  perfluoro-o-phenylenemercury trimer 、 3-氧代-2-苯基-4,4,5,5-四甲基咪唑啉-1-氧 以 二氯甲烷 为溶剂， 以36%的产率得到[tris(perfluoro-o-phenylene mercury)-(2-(phenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide)-tris(perfluoro-o-phenylene mercury)]
  参考文献：
  名称：

  Coordination of Nitroxide and Nitronyl-nitroxide Organic Radicals to Trimeric Perfluoro-o-phenylene Mercury

  摘要：

  The interaction of trimeric perfluoro-o-phenylene mercury (1) with TEMPO (1 11, 5,5-tetramethylpentamethylene nitroxide) in CH2Cl2 leads to the formation of the 1:1 adduct [1 center dot TEMPO] (2). The same reaction carried out with NIT-Ph (2-(phenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide) leads to the formation of either [1 center dot NIT center dot Ph center dot 1] (3) or [1 center dot NITPh](n) (4), depending on the amount of NIT-Ph present in solution. Adducts 2, 3, and 4 have been fully characterized and their crystal structures determined. The solid-state structure of 2 contains molecules of [1 center dot TEMPO] in which the nitroxide oxygen atom is triply coordinated to the mercury centers of 1. A similar situation is encountered in the structure of 3 where each oxygen atom of the NIT-Ph molecule interacts with the mercury centers of an adjacent molecule of 1. The structure of 4 consists of extended helical polymeric chains that contain alternating molecules of 1 and NIT-Ph. As in 2 and 3, the interactions responsible for the formation of these chains involve the triple coordination of the oxygen atoms of the NIT-Ph molecule to the mercury centers of 1. DFT calculations suggest that the bonding in adducts such as 2, 3, and 4 is most likely dominated by electrostatic rather than covalent interactions. In agreement with this view, magnetic susceptibility measurements carried out on these adducts indicate that 1 does not mediate significant coupling between organic radicals coordinated on either side of the trinuclear core.

  DOI：

  10.1021/ic050528a