[H3Ru3(C6H6)(C6(CH3)6)2(O)][BF4]*3,5-dichlorobenzoic acid*acetone*chloroform | 765296-28-4

• 英文名称: [H3Ru3(C6H6)(C6(CH3)6)2(O)][BF4]*3,5-dichlorobenzoic acid*acetone*chloroform
• 英文别名: [H3Ru3(C6H6)(C6(CH3)6)2(O)][BF4]*3,5-Cl2C6H3COOH*acetone*CHCl3
• CAS: 765296-28-4
• 化学式: BF₄*CHCl₃*C₃H₆O*C₇H₄Cl₂O₂*C₃₀H₄₅ORu₃
• 分子量: 1180.17
• InChiKey: LPLXLIKLLCDRRP-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：

  [(η6-C6Me6)2(η6-C6H6)Ru3(μ2-H)3(μ3-O)][BF4] 、 氯仿 、 3,5-二氯苯甲酸 、 丙酮 以 氯仿 、 丙酮 为溶剂， 生成 [H3Ru3(C6H6)(C6(CH3)6)2(O)][BF4]*3,5-dichlorobenzoic acid*acetone*chloroform
  参考文献：
  名称：

  Hydrogen-bonded systems between monocarboxylic acids and the trinuclear cluster cation [H3Ru3(C6H6)(C6Me6)2(O)]+: cold-spray ionisation mass spectroscopic and X-ray crystallographic studies

  摘要：

  The hydrogen-bonded systems formed between monocarboxylic acid derivatives and the trinuclear arene-ruthenium cluster cation [H3Ru3(C6H6)(C6Me6)(2)(O)](+) (1) have been studied in solution by cold-spray ionisation mass spectroscopy (CSI-MS) and in the solid state by single-crystal X-ray structure analysis of the tetrafluoroborate salts. The presence of 1: 1 (acid:cluster) adducts in acetone solution has been clearly demonstrated by CSI-MS. Single-crystal X-ray structure analyses of selected acid-cluster complexes show that in every case the hydroxyl of the acid function interacts strongly with the mu(3)-oxo ligand of cation 1, the O...O distance ranging from 2.499(9) to 2.595(11) Angstrom. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.06.021