Fe(13)CO(CO)2(η4-norbornadiene) | 136750-26-0

• 英文名称: Fe(13)CO(CO)2(η4-norbornadiene)
• CAS: 136750-26-0；136781-50-5
• 化学式: C₁₀H₈FeO₃
• 分子量: 233.008
• InChiKey: RVZLCFFRWVHFMQ-SYDPBJKZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  tricarbonyl-(η⁴-bicyclo[2.2.1]hepta-2,5-diene)iron(0) 、 C13取代的一氧化碳 以 正戊烷 为溶剂， 生成 Fe((13)CO)3(η4-norbornadiene) 、 Fe((13)CO)2(CO)(η4-norbornadiene) 、 Fe(13)CO(CO)2(η4-norbornadiene)
  参考文献：
  名称：

  Dynamic IR spectroscopy: occurrence and predictability of coalescence in the carbon monoxide stretching vibrations of 13CO-enriched tricarbonyl(.eta.4-norbornadiene)iron

  摘要：

  The nu(CO) IR spectra of 13-CO-enriched Fe(CO)3(eta-4-norbornadiene) (1) has been recorded in noble gas solvents as a function of temperature. As the temperature is raised (from -146-degrees-C to 88-degrees-C) several of the bands broaden, coalesce, and collapse in a manner similar to that observed in the variable-temperature NMR spectra of fluxional molecules. At the lowest temperature the complex band pattern can be accurately fitted using the energy factored CO force field. By appropriately averaging the force field parameters, the spectrum at high temperature can be accurately predicted. These observations are interpreted in terms of a very fast CO site exchange process in the organometallic complex.

  DOI：

  10.1021/ja00022a022