{VO2(σ-O2)} | 156734-34-8

• 英文名称: {VO2(σ-O2)}
• CAS: 156734-34-8；205527-05-5
• 化学式: O₄V
• 分子量: 114.939
• InChiKey: LWAPZTVSYFHZKE-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：

  六羰基钒 在 氧气 作用下， 以 solid matrix 为溶剂， 生成 {VO2(σ-O2)}
  参考文献：
  名称：

  Photo-oxidation of [V(CO)6] in low-temperature matrices containing O2: formation of a novel superoxovanadium species

  摘要：

  Irradiation of [V(CO)6] in low-temperature matrices containing O2 led to the formation of a novel superoxovanadium species A alongside free CO2. Isotopic substitution experiments involving O-18 and comparison of the IR spectrum of A with that of the known oxovanadium species [VO2Cl2]- and [VO2F2]- indicate that A is the superoxide [VO2(sigma-O2)]. The O-16-O-18 isotopic shift for V(asym)(VO2) of A gives an upper limit of ca. 115-degrees for the OVO bond angle of the dioxo moiety of A; the intensity ratio of the bands arising from v(sym) and v(asym)(VO2) suggests a value of 108 +/- 5-degrees for this angle. The reaction is initiated by loss of CO from [V(CO)6] to form [V(CO)5]; a step which is shown to be photochromic, and proceeds via at least one oxocarbonyl intermediate.

  DOI：

  10.1039/dt9940000835