[BzPPh3][Fe(triphenylphosphine)(CO)2(CN)2I] | 1309360-36-8

• 英文名称: [BzPPh3][Fe(triphenylphosphine)(CO)2(CN)2I]
• CAS: 1309360-36-8
• 化学式: C₂₂H₁₅FeIN₂O₂P*C₂₅H₂₂P
• 分子量: 906.522
• InChiKey: KIHQTYCJLXVCQB-UHFFFAOYSA-M

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：

  [Et4N][Fe(triphenylphosphine)(CO)2(CN)2I] 、 苄基三苯基氯化膦 以 乙醚 、 二氯甲烷 为溶剂， 生成 [BzPPh3][Fe(triphenylphosphine)(CO)2(CN)2I]
  参考文献：
  名称：

  Kinetics study of the substitution reaction of fac-[FeII(CN)2(CO)3I]− with PPh3

  摘要：

  Substitution reaction of fac-[(FeCN)-C-II()(2)(CO)(3)I] with triphenylphosphine (PPh3) produced mono phosphine substituted complex cis-cis-[Fe-II(CN)(2)(CO)(2)(PPh3)I]. Crystal structure of the product showed that carbonyl positioned trans-to iodide was replaced by PPh3. The substitution reaction was monitored by quantitative infrared spectroscopic method, and the rate law for the substitution reaction was determined to be rate = k[[Fe-II(CN)(2)(CO)(2)(PPh3)I]-][PPh3]. Transition state enthalpy and entropy changes were obtained from Eyring equation k = (k(B)T/h)exp(-Delta H-not equal/RT + Delta S-not equal/R) with Delta H-not equal = 119(4) kJ mol(-1) and Lambda S-not equal = 102(10) J mol(-1) K-1. Positive transition state entropy change suggests that the substitution reaction went through a dissociative pathway. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.01.069