Ru(salen)(triphenylphosphine)(2-(5)-imidazole-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide)ClO4 | 1068978-61-9

• 分子结构分类: 有机化合物
• 英文名称: Ru(salen)(triphenylphosphine)(2-(5)-imidazole-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide)ClO4
• CAS: 1068978-61-9
• 化学式: C₄₄H₄₄N₆O₄PRu*ClO₄
• 分子量: 952.366
• InChiKey: OQAMKZIZTUSTFA-RCSVYCRJSA-K

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：

  sodium perchlorate 、 Ru(III)(salen)(PPh3)Cl 、 2-(imidazol-4-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazol 3-oxide 1-oxyl 在 AgBF₄ 作用下， 以 甲醇 为溶剂， 以85%的产率得到Ru(salen)(triphenylphosphine)(2-(5)-imidazole-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide)ClO4
  参考文献：
  名称：

  Rational enhancement of the coordination capability of Ru(III)(salen)-nitronyl nitroxide building block: A step towards 2p–3d–4d magnetic edifices

  摘要：

  The reaction of [Ru(salen)(PPh3)Cl] and the 5-imidazol-substituted nitronyl nitroxide radical (NIT(5)ImH) yields the [Ru(salen)(PPh3)(NIT-(5)ImH)](ClO4) (1) complex which has been characterized by single crystal X-ray diffraction. This analysis reveals that the Ru(III) ion is coordinated to a tetradentate salen(2) ligand in equatorial positions while one PPh3 ligand and one NIT-(5) ImH radical are coordinated in axial positions. This led to Ru-III ions in tetragonally elongated octahedral geometry. From the magnetic point of view ferromagnetic intramolecular interaction (J(1) = + 2.47 cm (1)) have been found between the Ru(III) ion and the coordinated NIT-(5)ImH while no significant intermolecular antiferromagnetic interactions are observed at low temperature leading to a ground spin state S = 1. The absence of intermolecular magnetic interaction is explained by considering the crystal packing of (1) where the [Ru(salen)(PPh3)(NIT-(5)ImH)](+) moieties are relatively well isolated. This has to be compared with the situation observed in the previously reported [Ru(salen)(PPh3)-(NIT)](+) compound (2) where ferromagnetic Ru-III-NIT interaction were identified and the crystal packing generate intermolecular antiferromagnetic interactions that complicated the study. The analysis of this compound confirms the rather isotropic g values that were found of (2) and of [Ru(salen)(PPh3)(N-3)], (3) a radical-free analogue. Moreover it is also a step towards extended structures based on Ru-III-NIT moieties since this compound possesses a free bischelating site likely to coordinate additional metallic ions. (c) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2008.02.047