(η(2)-5-chloropentene)pentacarbonylchromium(0) | 185824-79-7

• 英文名称: (η(2)-5-chloropentene)pentacarbonylchromium(0)
• CAS: 185824-79-7
• 化学式: C₁₀H₉ClCrO₅
• 分子量: 296.627
• InChiKey: JOUIJCILTROFHI-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：

  5-氯-1-戊烯 、 六羰基铬 以 正庚烷 为溶剂， 生成 (η(2)-5-chloropentene)pentacarbonylchromium(0)
  参考文献：
  名称：

  Mechanism of Linkage Isomerization in (η¹-5-Chloropentene)pentacarbonylchromium(0)

  摘要：

  (eta(1)-5-Chloropentene)pentacarbonylchromium(0), (eta(1)-ol-Cl)Cr(CO)(5), 1, and (eta(2)-5-chloropentene)pentacarbonylchromium(0), (eta(2)-Cl-ol)Cr(CO)(5), 2, respectively, in which 5-chlorobenzene is bonded to Cr via a lone pair on chlorine or through the olefinic linkage, respectively, are produced via pulsed laser flash photolysis of Cr(CO)(6)/ Cl-ol solutions. Compound 1 then isomerizes to 2 on the submillisecond time scale. This process has been monitored both by IR and visible spectrophotometry by employing fluorobenzene (FB) as an inert diluent. Parallel studies of flash photolysis of Cr(CO)(6) in solutions containing 1-chlorobutane and 1-hexene, both neat and diluted with FB, where the Cl and ol functional groups are not linked, also were carried out. The data support a dissociative isomerization mechanism involving rate-determining Cr-Cl bond breaking. Activation parameters for this process have been obtained. The accessibility of a proposed low-energy pathway involving ''agostic'' C-H-Cr interactions in the transition state is evaluated.

  DOI：

  10.1021/ic960347w