fac-(ferroceneCO2)Re(CO3)(2,2'-bpy) | 923570-59-6

• 英文名称: fac-(ferroceneCO2)Re(CO3)(2,2'-bpy)
• CAS: 923570-59-6
• 化学式: C₂₄H₁₇FeN₂O₅Re
• 分子量: 655.463
• InChiKey: UDRUQLONMVULNH-UHFFFAOYSA-M

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：

  二茂铁甲酸 、 (2,2'-bipyridine)tricarbonylrhenium trifluoromethanesulfonate 在 四丁基氢氧化铵 作用下， 以 甲醇 、 乙醇 为溶剂， 以70%的产率得到fac-(ferroceneCO2)Re(CO3)(2,2'-bpy)
  参考文献：
  名称：

  Inhibition of the fac-(RCO₂)Re^I(CO₃)(bis-azine) Photodecarboxylation of the Carboxylate Ligand, RCO₂^-, When R Is a Strongly Electron Donating Group:  Thermal and Photochemical Properties of Complexes Where R = Ferrocene, 4-(Dimethylamino)benzyl

  摘要：

  The photophysical and phtochemical properties of fac-(RCO2)Re-I(CO)(3)L (R = ferrocene, L = phen, 2,2'-bpy; R = 4-(dimethylamino)benzyl (4-DMAB), L = phen) were investigated with continuous and flash photolyses. Their properties were compared with those of fac-(CH3CO2)Re-I(CO)(3)L (L = phen, 2,2'-bpy) complexes. On a femtosecond to 10 ps time scale, the transient spectra of the singlet Re(I) to L charge-transfer excited states, (MLCTRe -> L)-M-1, of fac-(RCO2)Re-I(CO)(3)L (R = ferrocene, 4-DMAB) transform into the spectra of two triplet excited states, the (MLCTRe -> L)-M-3 excited state and a Re(I) to RCO2- charge-transfer excited state, (MLCTRe -> RCO2)-M-3. The (MLCTRe -> RCO2)-M-3 and (MLCTRe -> L)-M-3 excited states have lifetimes that span 10(2) ns to several microseconds. The photodecarboxylation of fac-(RCO2)Re-I(CO)(3)L, initiated in ligand-to-ligand charge-transfer excited states, (LLCTRe -> L)-L-3, is markedly affected by the positions of the (MLCTRe -> RCO2)-M-3 and (MLCTRe -> L)-M-3 excited states. In addition, the low energy of (LLCTRCO2 -> L)-L-3 in the fac-(RCO2)Re-I(CO)(3)L (L = phen, 2,2'-bpy) complexes, relative to those of fac-(CH3CO2)Re-I(CO)(3)L (L = phen, 2,2'-bpy) decreases the efficiency of the photodecarboxylation reaction.

  DOI：

  10.1021/om0604775