[((CO)3Re(μ-1-butanethiolato)2Re(CO)3)2(μ-4,4'-bipyridine)2]*(pyrene) | 913292-58-7

• 英文名称: [((CO)3Re(μ-1-butanethiolato)2Re(CO)3)2(μ-4,4'-bipyridine)2]*(pyrene)
• CAS: 913292-58-7
• 化学式: C₁₆H₁₀*C₄₈H₅₂N₄O₁₂Re₄S₄
• 分子量: 1952.31
• InChiKey: OFXDIPRWZOJZPJ-UHFFFAOYSA-J

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：

  芘 、 [((CO)3Re(μ-1-butanethiolato)2Re(CO)3)2(μ-4,4'-bipyridine)2] 以 二氯甲烷 为溶剂， 生成 [((CO)3Re(μ-1-butanethiolato)2Re(CO)3)2(μ-4,4'-bipyridine)2]*(pyrene)
  参考文献：
  名称：

  CH···π Interaction for Rhenium-Based Rectangles:  An Interaction That Is Rarely Designed into a Host−Guest Pair

  摘要：

  Alkoxy- and thiolato-bridged Re-I molecular rectangles [{(CO)(3)Re(mu-ER)(2)Re(CO)(3)}2(mu-bpy)(2)] (ER=SC4H9, 1a; SC8H17, 1b; OC4H9, 2a; OC12H25, 2b; bpy = 4,4'- bipyridine) exhibit strong interactions with several planar aromatic molecules. The nature of their binding was studied by spectral techniques and verified by X-ray diffraction analysis. Standard absorption and fluorescence titrations showed that a relatively strong 1:1 interaction occurs between aromatic guests such as pyrene and these rectangles. The results of a single-crystal X-ray diffraction analysis show that the recognition of 1 with a pyrene molecule is mainly due to CH center dot center dot center dot pi interactions and the face of the guest pyrene is located over the edges of the bpy linkers of 1. This is a fairly novel example of an interaction that is rarely designed into a host-guest pair. Furthermore, the interaction of 1 with Ag+ results in the self-organization of supramolecular arrays, as revealed by solid-state data.

  DOI：

  10.1021/ic0604720